Sugi Predict

Sugi Predict / Compounds / SCHEMBL631580

SCHEMBL631580

SCHEMBL631580

NCCc1ccc(F)c(F)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 12/20 0.58
▸ KDM4E B2RXH2 4/20 0.52
▸ ADRA2A P08913 3/20 0.52
▸ SLC6A2 P23975 3/20 0.52
▸ MAPT P10636 2/20 0.52
▸ DRD2 P14416 2/20 0.52
▸ DRD1 P21728 2/20 0.52
▸ DRD4 P21917 2/20 0.52
▸ DRD5 P21918 2/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ DRD3 P35462 2/20 0.52
▸ RECQL P46063 2/20 0.52
▸ SLC6A3 Q01959 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ HTR1A P08908 2/20 0.52
▸ PNMT P11086 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ ADRB2 P07550 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52

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
Hydrochloric Acid SCHEMBL1585557 0.98 TAAR1 (0.56) TAAR1KDM4EADRA2ASLC6A2MAPT
SCHEMBL16105820 0.87 DAO (0.55) TAAR1ALDH1A1MAOBDAO
SCHEMBL895460 0.86 CYP2D6 (0.49) TAAR1KDM4EADRA2ASLC6A2MAPT
SCHEMBL3246622 0.85 DAO (0.46) TAAR1KDM4EADRA2ASLC6A2MAPT
SCHEMBL29463242 0.82 LOXL2 (0.52) TAAR1ALDH1A1PNMTDAO
SCHEMBL110823 0.82 LOXL2 (0.52) TAAR1ALDH1A1PNMTDAO
SCHEMBL6682241 0.81 TAAR1 (0.54) TAAR1KDM4EADRA2ASLC6A2MAPT
SCHEMBL31347497 0.81 TAAR1 (0.54) TAAR1KDM4EADRA2ASLC6A2MAPT
Hydrochloric Acid SCHEMBL29385479 0.81 MAOB (0.68) TAAR1TDP1MAOBBLMHTR2A
SCHEMBL23903966 0.79 SLC6A2 (0.58) TAAR1KDM4EADRA2ASLC6A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103694170-B The fluoro-1-methyl isophthalic acid of 6,7-bis-, the synthetic method of 2,3,4-four hydrogen isoquinoline hydrochloric acid salt CHANGZHOU XIAQING CHEMICAL CO., LTD. (CN) 2016-04-06 — — CN claimed
CN-103694170-A Synthetic method of 6,7-difluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride CHANGZHOU XIAQING CHEMICAL CO LTD 2014-04-02 — — CN claimed
EP-2205573-B1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2013-10-23 — — EP claimed
EP-2205573-A1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2010-07-14 — — EP claimed
CN-101410366-A Substituted bicyclic ring derivatives and uses thereof ASAHI KASEI PHARMA CORP (JP) 2009-04-15 — — CN claimed
WO-2009043780-A1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2009-04-09 — — WO claimed
US-20250296915-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2025-09-25 — — US disclosed
US-20250115619-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. 2025-04-10 — — US disclosed
CN-119462659-A Bridged tricyclic carbamoyl pyridone compounds and pharmaceutical uses thereof 吉利德科学公司 2025-02-18 — — CN disclosed
US-12227520-B2 Bridged tricyclic carbamoylpyridone compounds and their pharmaceutical use GILEAD SCIENCES, INC. (US) 2025-02-18 — — US disclosed
CN-113874079-B Bridged tricyclic carbamoyl pyridone compounds and pharmaceutical uses thereof 吉利德科学公司 2024-11-08 — — CN disclosed
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 — — US disclosed
EP-4308575-A1 MACROCYCLES AS CFTR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2024-01-24 — — EP disclosed
US-5972898-A ERYTHROMYCIN A DERIVATIVES AS LUTENIZING HORMONE RELEASING HORMONE (LHRH) ANTAGONISTS, AND METHODS OF THEIR PREPARATION ABBOTT LABORATORIES (US) 1999-10-26 — — US disclosed
WO-1999050275-A2 MACROLIDE LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 1999-10-07 — — WO disclosed
WO-1999050276-A1 3',3'-N-BIS-SUBSTITUTED MACROLIDE LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 1999-10-07 — — WO disclosed
US-5955440-A 3'-N-DESMETHYL-3'-N-SUBSTITUTED-6-O-METHYL-11-DEOXY-11,12-CYCL IC CARBAMATE ERYTHROMYCIN A DERIVATIVES ABBOTT LABORATORIES (US) 1999-09-21 — — US disclosed
EP-0900207-A1 PYRAZINONE THROMBIN INHIBITORS Merck & Co., Inc. (US) 1999-03-10 — — EP disclosed
US-5866573-A Pyrazinone thrombin inhibitors MERCK & CO., INC. (US) 1999-02-02 — — US disclosed
WO-1997040024-A1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO., INC. (US) 1997-10-30 — — 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 (4 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-20250115619-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE ZYX, CCNY, NCAPD3 TAAR1 4772/4885KDM4E 540/4885ADRA2A 4043/4885
US-12227520-B2 Bridged tricyclic carbamoylpyridone compounds and their pharmaceutical use ZYX, CCNY, XDH TAAR1 4767/4885KDM4E 491/4885ADRA2A 4120/4885
US-20250296915-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP TAAR1 3495/4885KDM4E 4163/4885ADRA2A 3440/4885
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 TAAR1 1932/4885KDM4E 4646/4885ADRA2A 63/4885

“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.