SCHEMBL873419

SCHEMBL873419

[CH2]C1NCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.41
CYP3A4 P08684 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
PRCP P42785 1/20 0.39
TP53 P04637 2/20 0.39
CYP1A2 P05177 2/20 0.39
DRD1 P21728 2/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL878428 0.78 PRCP (0.59) PRCPALDH1A1KDM4ETSHR
SCHEMBL1167895 0.77 PRCP (0.42) CYP2D6CYP3A4MEN1KMT2APRCP
SCHEMBL3111967 0.74 PRCP (0.43) CYP2D6CYP3A4MEN1KMT2APRCP
SCHEMBL27896744 0.74 PRCP (0.40) CYP2D6CYP3A4MEN1KMT2APRCP
SCHEMBL1567832 0.73 HTR2A (0.46) CYP2D6CYP3A4MEN1KMT2ACHRNB2
SCHEMBL7257552 0.73 CYP2D6 (0.41) CYP2D6CYP3A4MEN1KMT2ACHRNB2
SCHEMBL2275751 0.73 CYP2D6 (0.41) CYP2D6CYP3A4MEN1KMT2ACHRNB2
SCHEMBL359803 0.73 CHRNB2 (0.44) CYP2D6CYP3A4MEN1KMT2ACHRNB2
SCHEMBL1566232 0.73 PNMT (0.42) CYP2D6CYP3A4MEN1KMT2ACHRNB2
SCHEMBL6702423 0.73 PNMT (0.42) CYP2D6CYP3A4MEN1KMT2ACHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3436432-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF Genentech, Inc. (US) 2019-02-06 EP claimed
WO-2017172802-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-10-05 WO claimed
EP-3074377-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF Genentech, Inc. (US) 2016-10-05 EP claimed
WO-2015078374-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2015-06-04 WO claimed
US-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US claimed
EP-2643000-A2 THERAPEUTIC PIPERAZINES Dart Neuroscience (Cayman) Ltd (KY) 2013-10-02 EP claimed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO claimed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 US claimed
US-20090111865-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof ASTRAZENECA AB (SE) 2009-04-30 US claimed
US-7517898-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2009-04-14 US claimed
CN-1726194-A Novel compound ASTRAZENECA AB (SE) 2006-01-25 CN claimed
EP-1554254-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2005-07-20 EP claimed
WO-2004108689-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2004-12-16 WO claimed
WO-2004108712-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2004-12-16 WO claimed
WO-2004108688-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2004-12-16 WO claimed
US-20040116465-A1 Novel compounds ASTRAZENECA AB (SE) 2004-06-17 US claimed
CN-1503787-A Novel compounds 2004-06-09 CN claimed
WO-2004035548-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-04-29 WO claimed
EP-1390350-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-02-25 EP claimed
WO-2002085866-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2002-10-31 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20090111865-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof H1-3, H1-4, CYP3A4 CYP2D6 27/4885CYP3A4 3/4885MEN1 2990/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D CYP2D6 3447/4885CYP3A4 754/4885MEN1 4385/4885

“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.