SCHEMBL3605401

SCHEMBL3605401

Cc1cc2c(c(C)c1Br)CC(C)O2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 10/20 0.41
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 2/20 0.39
PBRM1 Q86U86 1/20 0.38
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
MAOB P27338 2/20 0.34
PTGS2 P35354 1/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33

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
SCHEMBL28027414 0.83 ALDH1A1 (0.41) MAOAALDH1A1HPGDMAPTPBRM1
SCHEMBL3605365 0.79 MAOA (0.41) MAOAALDH1A1HPGDMAPTKDM4E
SCHEMBL28027978 0.78 RXFP1 (0.43) MAOAALDH1A1HPGDMAPTKDM4E
SCHEMBL28027996 0.76 ALDH1A1 (0.35) MAOAALDH1A1MAPTPTGS2
SCHEMBL657712 0.73 MAOA (0.45) MAOAALDH1A1KDM4ETSHRMAOB
SCHEMBL3601616 0.72 MAOA (0.44) MAOAALDH1A1HPGDMAPTMAOB
SCHEMBL4087620 0.71 TDP1 (0.42) MAOAALDH1A1HPGDMAPTKDM4E
SCHEMBL15666675 0.69 MAOA (0.46) MAOAALDH1A1HPGDKDM4ETSHR
SCHEMBL15667395 0.69 MAOA (0.46) MAOAALDH1A1HPGDKDM4ETSHR
SCHEMBL15666673 0.69 MAOA (0.46) MAOAALDH1A1HPGDKDM4ETSHR

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 8 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-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-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 (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-20100240743-A1 CANNABINOID RECEPTOR MODULATOR CNR1, CNR2, GPR18 MAOA 1094/4885ALDH1A1 1463/4885HPGD 1416/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MAOA 1094/4885ALDH1A1 1463/4885HPGD 1416/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MAOA 1094/4885ALDH1A1 1463/4885HPGD 1416/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MAOA 1094/4885ALDH1A1 1463/4885HPGD 1416/4885

“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.