SCHEMBL178505

SCHEMBL178505

CNC(C)CCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.63
SIGMAR1 Q99720 2/20 0.63
SLC18A2 Q05940 1/20 0.63
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 3/20 0.56
KMT2A Q03164 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
MEN1 O00255 1/20 0.56
HTT P42858 1/20 0.56
HPGD P15428 1/20 0.56
OPRK1 P41145 1/20 0.54
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
TSHR P16473 1/20 0.50
ATM Q13315 1/20 0.50

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
SCHEMBL14463409 1.00 TAAR1 (0.63) TAAR1SIGMAR1SLC18A2SMN1; SMN2ALDH1A1
SCHEMBL17887872 1.00 TAAR1 (0.63) TAAR1SIGMAR1SLC18A2SMN1; SMN2ALDH1A1
SCHEMBL15907606 0.88 SIGMAR1 (0.59) TAAR1SIGMAR1SLC18A2KMT2AMEN1
SCHEMBL25309034 0.83 BCHE (0.74) SIGMAR1KMT2AMEN1
SCHEMBL13981594 0.83 ALDH1A1 (0.56) SIGMAR1SMN1; SMN2ALDH1A1KMT2ACYP1A2
SCHEMBL10396064 0.81 ALDH1A1 (0.54) SIGMAR1SMN1; SMN2ALDH1A1KMT2ACYP1A2
SCHEMBL13996935 0.81 CYP1A2 (0.55) SIGMAR1SMN1; SMN2ALDH1A1KMT2ACYP1A2
SCHEMBL14442996 0.81 CYP1A2 (0.55) SIGMAR1SMN1; SMN2ALDH1A1KMT2ACYP1A2
SCHEMBL21779818 0.81 ALDH1A1 (0.49) TAAR1SIGMAR1SLC18A2SMN1; SMN2ALDH1A1
SCHEMBL14442995 0.81 CYP1A2 (0.55) SIGMAR1SMN1; SMN2ALDH1A1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105367568-A Riociguat preparation method ZHEJIANG JINGXIN PHARMACEUTICAL CO LTD 2016-03-02 CN claimed
EP-0722449-A1 BOROPEPTIDE INHIBITORS OF THROMBIN WHICH CONTAIN A SUBSTITUTED PYRROLIDINE RING THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-24 EP claimed
EP-3580220-B1 AMINOTRIAZOLOPYRIDINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-11-17 EP disclosed
US-10913738-B2 Aminotriazolopyridines as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-02-09 US disclosed
CN-105367568-A Riociguat preparation method ZHEJIANG JINGXIN PHARMACEUTICAL CO LTD 2016-03-02 CN disclosed
US-8883824-B2 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-11 US disclosed
EP-2431362-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-03-21 EP disclosed
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-03-08 US disclosed
WO-2010131669-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 大日本住友製薬株式会社 (JP) 2010-11-18 WO disclosed
US-20100204160-A1 SUBSTITUTED 1,2-ETHYLENEDIAMINES, METHODS FOR PREPARING THEM AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 US disclosed
US-7713961-B2 Substituted 1,2-ethylenediamines, methods for preparing them and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
US-20090325940-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-31 US disclosed
US-7459460-B2 Trisubstituted heteroaromatic compounds as calcium sensing receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 US disclosed
US-20070287087-A1 Colored photosensitive resin composition, color filter, image sensor, and camera system SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-12-13 US disclosed
US-20070287087-A1 Colored photosensitive resin composition, color filter, image sensor, and camera system SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-12-13 US disclosed
US-6472228-B2 SYNTHETIC TRACER FOR USE IN DRUG SCREENING LIFEPOINT, INC. 2002-10-29 US disclosed
US-20020090661-A1 Composition and methods for synthesis of novel tracers for detecting amphetamine and methamphetamine in samples GENERAL CONFERENCE CORPORATION OF SEVENTH-DAY ADVENTISTS 2002-07-11 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 (5 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-20100204160-A1 SUBSTITUTED 1,2-ETHYLENEDIAMINES, METHODS FOR PREPARING THEM AND USES THEREOF PSEN1, PSEN2, BACE1 TAAR1 277/4885SIGMAR1 1872/4885SLC18A2 133/4885
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACSL3, SLCO4C1, SLC38A7 TAAR1 1125/4885SIGMAR1 1105/4885SLC18A2 732/4885
US-20090325940-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof PSEN1, PSEN2, BACE1 TAAR1 277/4885SIGMAR1 1872/4885SLC18A2 133/4885
US-20020090661-A1 Composition and methods for synthesis of novel tracers for detecting amphetamine and methamphetamine in samples NEFM, OPRM1, TAAR5 TAAR1 25/4885SIGMAR1 76/4885SLC18A2 87/4885
US-10913738-B2 Aminotriazolopyridines as kinase inhibitors RIPK1, RIPK3, RIPK4 TAAR1 1793/4885SIGMAR1 2051/4885SLC18A2 3952/4885

“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.