SCHEMBL4087620

SCHEMBL4087620

Cc1cc2c(c(C)c1NC(=O)O)CC(C)O2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
MAOA P21397 11/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 2/20 0.37
MAOB P27338 3/20 0.36
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
AKR1B1 P15121 1/20 0.34
CREBBP Q92793 2/20 0.34
BRD4 O60885 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 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
SCHEMBL3607469 0.73 TDP1 (0.37) TDP1MAOAALDH1A1HPGDMAPT
SCHEMBL3601100 0.73 RAB9A (0.35) MAOAALDH1A1HPGDMAOBKDM4E
SCHEMBL3605401 0.71 MAOA (0.41) MAOAALDH1A1HPGDMAPTMAOB
SCHEMBL3605365 0.71 MAOA (0.41) MAOAALDH1A1HPGDMAPTMAOB
SCHEMBL4088010 0.71 PARP1 (0.35) TDP1MAOAALDH1A1HPGDMAOB
SCHEMBL3613671 0.71 ALDH1A1 (0.36) TDP1ALDH1A1HPGDMAPTKDM4E
SCHEMBL20836567 0.69 DRD3 (0.45) ALDH1A1HPGDMAPTGAA
SCHEMBL3601616 0.65 MAOA (0.44) MAOAALDH1A1HPGDMAPTMAOB
SCHEMBL11505762 0.65 TDP1 (0.49) TDP1ALDH1A1HPGDKDM4EGAA
SCHEMBL27702758 0.65 ALDH1A1 (0.49) TDP1MAOAALDH1A1HPGDMAPT

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 7 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-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 (3 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-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 TDP1 4817/4885MAOA 1094/4885ALDH1A1 1463/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 TDP1 4817/4885MAOA 1094/4885ALDH1A1 1463/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 TDP1 4817/4885MAOA 1094/4885ALDH1A1 1463/4885

“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.