SCHEMBL7790503

SCHEMBL7790503

Cc1ccc(N2CC(C)OC(C)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
ALDH1A1 P00352 7/20 0.54
CYP2C19 P33261 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
LMNA P02545 2/20 0.49
GAA P10253 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
RAB9A P51151 1/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 1/20 0.44
ADRB1 P08588 1/20 0.44
GAK O14976 1/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL23731989 1.00 MAPT (0.57) MAPTALDH1A1CYP2C19CYP1A2CYP3A4
SCHEMBL327800 1.00 MAPT (0.57) MAPTALDH1A1CYP2C19CYP1A2CYP3A4
SCHEMBL18436831 1.00 MAPT (0.57) MAPTALDH1A1CYP2C19CYP1A2CYP3A4
SCHEMBL24352865 1.00 MAPT (0.57) MAPTALDH1A1CYP2C19CYP1A2CYP3A4
SCHEMBL18435963 0.84 MAPT (0.44) MAPTALDH1A1CYP2C19CYP1A2CYP3A4
SCHEMBL19012372 0.82 MAPT (0.46) MAPTALDH1A1CYP2C19CYP1A2CYP3A4
SCHEMBL19012683 0.82 MAPT (0.46) MAPTALDH1A1CYP2C19CYP1A2CYP3A4
SCHEMBL13370273 0.82 MAPT (0.56) MAPTALDH1A1LMNAGAAL3MBTL1
SCHEMBL2385628 0.82 MAPT (0.56) MAPTALDH1A1LMNAGAAL3MBTL1
SCHEMBL6133073 0.82 MAPT (0.56) MAPTALDH1A1LMNARAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3204382-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-12-01 EP disclosed
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-06-22 US disclosed
EP-3124482-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-02-01 EP disclosed
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-09-15 US disclosed
US-20160178813-A1 PHOTOSENSITIVE RESIN COMPOSITION AND USES THEREOF CHI MEI CORPORATION (TW) 2016-06-23 US disclosed
US-9266834-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2016-02-23 US disclosed
US-9266834-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2016-02-23 US disclosed
WO-2015061247-A2 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-04-30 WO disclosed
US-20140315903-A1 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors JANSSEN PHARMACEUTICALS INC (US) 2014-10-23 US disclosed
US-20140315903-A1 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors JANSSEN PHARMACEUTICALS INC (US) 2014-10-23 US disclosed
US-8841323-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2014-09-23 US disclosed
US-8841323-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2014-09-23 US disclosed
US-20120010428-A1 PROCESS FOR THE PREPARATION OF SULFOMATE-CARBOXYLATE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2012-01-12 US disclosed
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-07-01 US disclosed
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-07-01 US disclosed
US-20100076081-A1 METHOD FOR PRODUCING SALT OF 4-SULFINYLAMINO-1-CYCLOHEXANECARBOXYLIC ACID SHIONOGI & CO., LTD. (JP) 2010-03-25 US disclosed
EP-1150963-A1 SUBSTITUTED 4-AMINO-2-ARYLTETRAHYDROQUINAZOLINES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Aventis Pharma Deutschland GmbH (DE) 2001-11-07 EP disclosed
WO-2000046214-A1 SUBSTITUTED 4-AMINO-2-ARYLTETRAHYDROQUINAZOLINES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-08-10 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 (6 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-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LCK MAPT 4273/4885ALDH1A1 4570/4885CYP2C19 1580/4885
US-20140315903-A1 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors GRM2, GRM1, GRM3 MAPT 2624/4885ALDH1A1 2839/4885CYP2C19 676/4885
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 MAPT 2635/4885ALDH1A1 2815/4885CYP2C19 674/4885
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS SMO, GLI1, SHH MAPT 4195/4885ALDH1A1 892/4885CYP2C19 4645/4885
US-20100076081-A1 METHOD FOR PRODUCING SALT OF 4-SULFINYLAMINO-1-CYCLOHEXANECARBOXYLIC ACID STS, TST, CPS1 MAPT 4680/4885ALDH1A1 690/4885CYP2C19 1459/4885
US-20120010428-A1 PROCESS FOR THE PREPARATION OF SULFOMATE-CARBOXYLATE DERIVATIVES STS, ADH1C, ADH1A MAPT 4164/4885ALDH1A1 48/4885CYP2C19 149/4885

“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.