SCHEMBL331204

SCHEMBL331204

Nc1ccc(Cl)c(Cl)c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.46
TSHR P16473 2/20 0.41
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP2A6 P11509 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 2/20 0.37
MAPK1 P28482 2/20 0.37
HTT P42858 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP1A2 P05177 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
FGR P09769 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Acetic Acid SCHEMBL3819675 0.89 ADORA2A (0.42) ADORA2ATSHRALDH1A1LMNAKDM4E
SCHEMBL3269166 0.81 CYP2A6 (0.44) TSHRALDH1A1CYP2A6LMNACYP3A4
SCHEMBL29368088 0.81 CYP2A6 (0.44) TSHRALDH1A1CYP2A6LMNACYP3A4
SCHEMBL31607618 0.80 MAOA (0.45) ADORA2ATSHRALDH1A1HSD17B10LMNA
SCHEMBL27694455 0.79 CYP1A2 (0.38) ADORA2ATSHRALDH1A1HSD17B10LMNA
SCHEMBL28448795 0.78 ALDH1A1 (0.47) ADORA2ATSHRALDH1A1HSD17B10CYP2A6
SCHEMBL29546125 0.78 HSD17B10 (0.50) ADORA2ATSHRALDH1A1HSD17B10LMNA
SCHEMBL25014 0.78 HSD17B10 (0.50) ADORA2ATSHRALDH1A1HSD17B10LMNA
SCHEMBL27715394 0.77 TSHR (0.56) ADORA2ATSHRALDH1A1HSD17B10CYP2A6
SCHEMBL31607616 0.77 ADORA2A (0.53) ADORA2ATSHRALDH1A1HSD17B10CYP2A6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226084-A9 HIGH PENETRATION PRODRUG COMPOSITIONS AND PHARMACEUTICAL COMPOSITION THEREOF FOR TREATMENT OF PULMONARY CONDITIONS TECHFIELDS PHARMA CO., LTD. (CN) 2024-07-11 US disclosed
US-20240131017-A1 HIGH PENETRATION PRODRUG COMPOSITIONS AND PHARMACEUTICAL COMPOSITION THEREOF FOR TREATMENT OF PULMONARY CONDITIONS TECHFIELDS PHARMA CO., LTD. (CN) 2024-04-25 US disclosed
US-20240115562-A1 HIGH PENETRATION PRODRUG COMPOSITIONS AND PHARMACEUTICAL COMPOSITION THEREOF FOR TREATMENT OF PULMONARY CONDITIONS TECHFIELDS PHARMA CO., LTD. (CN) 2024-04-11 US disclosed
US-11857545-B2 High penetration prodrug compositions and pharmaceutical composition thereof for treatment of pulmonary conditions TECHFIELDS PHARMA CO., LTD. (CN) 2024-01-02 US disclosed
US-11813256-B2 High penetration prodrug compositions and pharmaceutical compositon thereof for treatment of pulmonary conditions PREMIER RESEARCH INTERNATIONAL, LLC 2023-11-14 US disclosed
US-20210353579-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO LTD (CN) 2021-11-18 US disclosed
US-20190142818-A1 HIGH PENETRATION PRODRUG COMPOSITIONS AND PHARMACEUTICAL COMPOISITON THEREOF FOR TREATMENT OF PULMONARY CONDITIONS TECHFIELDS PHARMA CO., LTD 2019-05-16 US disclosed
US-20180258038-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-09-13 US disclosed
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-06-19 US disclosed
US-9872846-B2 High penetration compositions and uses thereof TECHFIELDS PHARMA CO., LTD. (CN) 2018-01-23 US disclosed
WO-2013170655-A1 HIGH PENETRATION PRODRUG COMPOSITIONS AND PHARMACEUTICAL COMPOSITION THEREOF FOR TREATMENT OF PULMONARY CONDITIONS TECHFIELDS PHARMA CO., LTD. (CN) 2013-11-21 WO disclosed
EP-2407451-B1 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMA CO LTD (JP) 2013-11-20 EP disclosed
US-20130203750-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-08-08 US disclosed
US-8420623-B2 N, N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-04-16 US disclosed
US-20120065162-A1 N-N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
EP-2407451-A1 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors Otsuka Pharmaceutical Co., Ltd. (JP) 2012-01-18 EP disclosed
US-8084442-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-27 US disclosed
US-20090088406-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-04-02 US disclosed
EP-1881975-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-30 EP disclosed
WO-2006121218-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240226084-A9 HIGH PENETRATION PRODRUG COMPOSITIONS AND PHARMACEUTICAL COMPOSITION THEREOF FOR TREATMENT OF PULMONARY CONDITIONS HRH4, HCAR2, PAH ADORA2A 339/4885TSHR 4782/4885ALDH1A1 1724/4885
US-11813256-B2 High penetration prodrug compositions and pharmaceutical compositon thereof for treatment of pulmonary conditions CPA3, PAH, HCAR2 ADORA2A 939/4885TSHR 4674/4885ALDH1A1 2282/4885
US-20090088406-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 ADORA2A 131/4885TSHR 490/4885ALDH1A1 345/4885
US-20130203750-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 ADORA2A 131/4885TSHR 490/4885ALDH1A1 345/4885
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors SLC6A2, TPH1, SLC6A3 ADORA2A 131/4885TSHR 490/4885ALDH1A1 345/4885
US-20240115562-A1 HIGH PENETRATION PRODRUG COMPOSITIONS AND PHARMACEUTICAL COMPOSITION THEREOF FOR TREATMENT OF PULMONARY CONDITIONS HRH4, HCAR2, PAH ADORA2A 339/4885TSHR 4782/4885ALDH1A1 1724/4885
US-20180258038-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 ADORA2A 131/4885TSHR 490/4885ALDH1A1 345/4885
US-20240131017-A1 HIGH PENETRATION PRODRUG COMPOSITIONS AND PHARMACEUTICAL COMPOSITION THEREOF FOR TREATMENT OF PULMONARY CONDITIONS HRH4, HCAR2, PAH ADORA2A 339/4885TSHR 4782/4885ALDH1A1 1724/4885
US-20120065162-A1 N-N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 ADORA2A 126/4885TSHR 498/4885ALDH1A1 380/4885
US-20210353579-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES ADORA2A 262/4885TSHR 4680/4885ALDH1A1 1790/4885
US-11857545-B2 High penetration prodrug compositions and pharmaceutical composition thereof for treatment of pulmonary conditions HRH4, HCAR2, PAH ADORA2A 339/4885TSHR 4782/4885ALDH1A1 1724/4885
US-20190142818-A1 HIGH PENETRATION PRODRUG COMPOSITIONS AND PHARMACEUTICAL COMPOISITON THEREOF FOR TREATMENT OF PULMONARY CONDITIONS CPA3, HCAR2, HRH4 ADORA2A 956/4885TSHR 4631/4885ALDH1A1 2258/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.