SCHEMBL2963736

SCHEMBL2963736

[CH2]c1ccccc1N(CC)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 5/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
AR P10275 2/20 0.35
CYP3A4 P08684 2/20 0.33
PSMD14 O00487 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
GFER P55789 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
RAB9A P51151 2/20 0.32
ALDH1A3 P47895 2/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL2491518 0.83 RAB9A (0.35) TSHRCNR2ALDH1A1GAAMAPT
Hydrochloric Acid SCHEMBL28123899 0.82 MAPT (0.39) TSHRMAPTLMNACYP1A2CYP2D6
SCHEMBL815789 0.82 CRHR1 (0.36) ALDH1A1ALDH1A3ALDH3A1
SCHEMBL31718395 0.82 TSHR (0.46) TSHRCNR2ALDH1A1GAAMAPT
SCHEMBL6299189 0.82 TSHR (0.46) TSHRCNR2ALDH1A1GAAMAPT
SCHEMBL2962157 0.79 TDP1 (0.38) TSHRALDH1A1GAAMAPTMAPK1
SCHEMBL2489419 0.77 DDB1 (0.35) TSHRALDH1A1GAAMAPTCYP3A4
SCHEMBL2464159 0.76 SIGMAR1 (0.31)
SCHEMBL30311684 0.75 TSHR (0.41) TSHRCNR2ALDH1A1GAAMAPT
SCHEMBL2326737 0.75 TSHR (0.41) TSHRCNR2ALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117677382-A Benzyloxy benzylamino amino acid derivatives that modulate TSLP/TSLPR signaling 阿米蒂比奥有限公司 2024-03-08 CN claimed
CN-110325509-B Functional derivative compounds of alanine and proline amino acids and pharmaceutical compositions containing the same 阿米蒂比奥有限公司 2024-02-02 CN claimed
CN-114716386-A Novel exosome inhibitor and preparation method thereof 北京和理咨询有限公司 2022-07-08 CN claimed
CN-110325509-A Functional derivative compound of alanine and proline amino acid and pharmaceutical composition containing same 阿米蒂比奥有限公司 2019-10-11 CN claimed
US-9809822-B2 Triptolide derivatives and preparation method and use thereof HONG KONG BAPTIST UNIVERSITY (HK) 2017-11-07 US claimed
US-20160362691-A1 TRIPTOLIDE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF HONG KONG BAPTIST UNIVERSITY (HK) 2016-12-15 US claimed
EP-0837855-A4 METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS DU PONT MERCK PHARMA (US) 1998-09-02 EP claimed
EP-0837855-A1 METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-29 EP claimed
WO-1996040652-A1 METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-19 WO claimed
US-5532357-A Method for preparing N-monosubstituted and N,N'-disubstituted unsymmetrical cyclic ureas THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-02 US claimed
CN-117677382-A Benzyloxy benzylamino amino acid derivatives that modulate TSLP/TSLPR signaling 阿米蒂比奥有限公司 2024-03-08 CN disclosed
CN-110325509-B Functional derivative compounds of alanine and proline amino acids and pharmaceutical compositions containing the same 阿米蒂比奥有限公司 2024-02-02 CN disclosed
CN-116836083-A Functional derivative compounds of alanine and proline amino acids and pharmaceutical compositions containing the same 阿米蒂比奥有限公司 2023-10-03 CN disclosed
CN-116622005-A Polymer prodrug compound and preparation method thereof, and polymer prodrug micelle and preparation method thereof 成都普康生物科技有限公司 2023-08-22 CN disclosed
CN-114716386-A Novel exosome inhibitor and preparation method thereof 北京和理咨询有限公司 2022-07-08 CN disclosed
EP-0273426-B1 ENAMINE DERIVATIVES, PRODUCTION THEREOF AND ELECTROPHOTOGRAPHIC PLATES CONTAINING THE SAME Hitachi Chemical Co., Ltd. (JP) 1993-03-17 EP disclosed
EP-0435503-A1 Improvements in or relating to gylcopeptide derivatives ELI LILLY AND COMPANY (US) 1991-07-03 EP disclosed
EP-0273426-A2 Enamine derivatives, production thereof and electrophotographic plates containing the same Hitachi Chemical Co., Ltd. (JP) 1988-07-06 EP disclosed
US-4456671-A Electrophotographic photosensitive member having a photosensitive layer containing a hydrazone compound CANON KABUSHIKI KAISHA (JP) 1984-06-26 US disclosed
US-4399207-A Electrophotographic photosensitive member with hydrazone compound CANON KABUSHIKI KAISHA (JP) 1983-08-16 US 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 (1 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-20160362691-A1 TRIPTOLIDE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF TPD52L2, TRDMT1, MCTS1 TSHR 325/4885CNR2 4127/4885ALDH1A1 2399/4885

“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.