SCHEMBL596512

SCHEMBL596512

Nc1ccc(N2CCNCC2)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
RECQL P46063 1/20 0.53
ADRB1 P08588 8/20 0.51
HTR3E A5X5Y0 5/20 0.50
HTR3B O95264 5/20 0.50
HTR3A P46098 5/20 0.50
HTR3D Q70Z44 5/20 0.50
HTR3C Q8WXA8 5/20 0.50
SIGMAR1 Q99720 5/20 0.50
HTR5A P47898 1/20 0.50
HTR6 P50406 3/20 0.48
HTR1A P08908 3/20 0.47
HTR7 P34969 3/20 0.47
HTR2C P28335 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HTR1D P28221 1/20 0.46
THRB P10828 2/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL17265646 0.87 MAPT (0.52) MAPTRECQLALDH1A1HTTKDM4E
SCHEMBL24196401 0.86 MAPT (0.56) MAPTRECQLADRB1HTR3EHTR3B
Tert-Butyl Formate SCHEMBL27945027 0.84 MAPT (0.43) MAPTRECQLADRB1HTR3EHTR3B
SCHEMBL478208 0.83 ADRB1 (0.57) MAPTADRB1HTR3EHTR3BHTR3A
SCHEMBL22289269 0.83 ALDH1A1 (0.61) MAPTRECQLALDH1A1THRBTP53
SCHEMBL3376365 0.83 ALDH1A1 (0.56) MAPTRECQLALDH1A1THRBTP53
SCHEMBL8071214 0.83 MAPT (0.61) MAPTRECQLADRB1HTR3EHTR3B
Hydrochloric Acid SCHEMBL30892475 0.81 ADRB1 (0.55) MAPTADRB1HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL28512966 0.81 ADRB1 (0.55) MAPTADRB1HTR3EHTR3BHTR3A
SCHEMBL1127082 0.81 ALDH1A1 (0.65) MAPTRECQLALDH1A1THRBTP53

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022011274-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 GOLDFINCH BIO, INC. (US) 2022-01-13 WO disclosed
CN-105960404-B The inhibitor of bruton's tyrosine kinase 药品循环有限责任公司 2019-09-03 CN disclosed
CN-105960404-A Inhibitors of bruton's tyrosine kinase 药品循环有限责任公司 2016-09-21 CN disclosed
EP-2665727-A1 BICYCLIC CARBOXAMIDE INHIBITORS OF KINASES Abbvie Inc. (US) 2013-11-27 EP disclosed
WO-2012097684-A1 BICYCLIC CARBOXAMIDE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-07-26 WO disclosed
US-8153644-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-8115011-B2 (S)-3-{5-[(1-Pyridin-2-yl-3-trifluoromethyl-1H-pyrazole-4-carbonyl)-amino]-pyridin-2-ylamino}-pyrrolidine-1-carboxylic acid ethyl ester; obesity, type II diabetes mellitus and metabolic syndrome MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-14 US disclosed
US-8058299-B2 Diacylglycerol acyltransferase inhibitors VIA PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
CN-101835757-A Diacylglycerol acyltransferase inhibitors HOFFMANN LA ROCHE 2010-09-15 CN disclosed
EP-2155687-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-07-02 US disclosed
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-23 US disclosed
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors VIA PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-09 US disclosed
WO-2008141976-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2008-11-27 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-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT MAPT 3561/4885RECQL 2629/4885ADRB1 1161/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT MAPT 3561/4885RECQL 2629/4885ADRB1 1161/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT MAPT 3561/4885RECQL 2629/4885ADRB1 1161/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT MAPT 3561/4885RECQL 2629/4885ADRB1 1161/4885

“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.