SCHEMBL3604985

SCHEMBL3604985

CC(=Cc1ccc(Br)cc1)CBr

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
S1PR4 O95977 1/20 0.44
S1PR1 P21453 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
GSK3B P49841 2/20 0.39
AKR1C3 P42330 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
CYP19A1 P11511 2/20 0.35
CYP2A6 P11509 1/20 0.35

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
SCHEMBL3604983 1.00 KMT2A (0.44) KMT2AMEN1MAPTLMNAS1PR4
SCHEMBL3600589 0.83 KMT2A (0.44) KMT2AMEN1MAPTLMNAS1PR4
SCHEMBL3600592 0.83 KMT2A (0.44) KMT2AMEN1MAPTLMNAS1PR4
SCHEMBL6770445 0.83 KMT2A (0.49) KMT2AMEN1MAPTLMNAS1PR4
SCHEMBL6770448 0.83 KMT2A (0.49) KMT2AMEN1MAPTLMNAS1PR4
SCHEMBL3595056 0.83 GSK3B (0.42) KMT2AMAPTNPSR1CYP2C19CYP3A4
SCHEMBL3595054 0.83 GSK3B (0.42) KMT2AMAPTNPSR1CYP2C19CYP3A4
SCHEMBL3593425 0.81 TRPA1 (0.51) KMT2AMEN1MAPTLMNANPSR1
SCHEMBL3593427 0.81 TRPA1 (0.51) KMT2AMEN1MAPTLMNANPSR1
SCHEMBL3596805 0.80 AKR1C3 (0.54) KMT2AMEN1AKR1C3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1637527-B1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL (JP) 2013-04-17 EP disclosed
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-23 US disclosed
US-7691841-B2 Azetidine derivatives as CCR-3 receptor antagonist NOVARTIS AG (CH) 2010-04-06 US disclosed
EP-1781606-B1 AZETIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-08-05 EP disclosed
US-7507841-B2 Carbamoylamino-substituted 2,3-dihydro-benzofurans, indoles and benzothiophenes, e.g., (+)-N-((3R)-3-(4-isopropylphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylbutanamide; cerebrovascular disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-24 US disclosed
US-20090023800-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-01-22 US disclosed
US-7465815-B2 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-16 US disclosed
US-20080021087-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-01-24 US disclosed
US-20070259848-A1 Azetidine Derivatives as Ccr-e Receptor NOVARTIS AG (CH) 2007-11-08 US disclosed
US-20070099990-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US disclosed
EP-1637527-A1 CANNABINOID RECEPTOR MODULATOR Takeda Pharmaceutical Company Limited (JP) 2006-03-22 EP 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-20100240743-A1 CANNABINOID RECEPTOR MODULATOR CNR1, CNR2, GPR18 KMT2A 1061/4885MEN1 3532/4885MAPT 4392/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KMT2A 1061/4885MEN1 3532/4885MAPT 4392/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KMT2A 1061/4885MEN1 3532/4885MAPT 4392/4885
US-20070259848-A1 Azetidine Derivatives as Ccr-e Receptor CCR1, CCR3, CCR9 KMT2A 3059/4885MEN1 4752/4885MAPT 3413/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KMT2A 1061/4885MEN1 3532/4885MAPT 4392/4885

“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.