SCHEMBL3604568

SCHEMBL3604568

COc1cccc(C2COc3c(C)c(C)c(NCc4ccccc4)c(C)c32)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.43
KDM1A O60341 2/20 0.41
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
BRD4 O60885 2/20 0.38
MAPK1 P28482 3/20 0.37
TP53 P04637 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
TSHR P16473 2/20 0.37
CYP2C19 P33261 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CASR P41180 1/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL3597147 0.87 PDE10A (0.36) CYP19A1KDM1AMAOABRD4KMT2A
SCHEMBL3604563 0.84 PDE10A (0.32)
SCHEMBL3594284 0.82 HTT (0.41) CYP19A1MAOAALDH1A1KDM4EHPGD
SCHEMBL3592015 0.81 FFAR1 (0.35) KDM1AMAPK1MAPTMEN1KMT2A
SCHEMBL3599674 0.79 LTB4R (0.37) CYP2D6HIF1ACASRMAPTLMNA
SCHEMBL3606992 0.78 NPBWR1 (0.37) MAPK1TP53MAPTALDH1A1MEN1
SCHEMBL3600845 0.78 PDE10A (0.32)
SCHEMBL3605267 0.77 CYP19A1 (0.47) CYP19A1KDM1ABRD4CYP3A4ALDH1A1
SCHEMBL3596158 0.77 BRD4 (0.41) CYP19A1BRD4ALDH1A1LMNAMEN1
SCHEMBL3601050 0.74 CYP19A1 (0.49) CYP19A1BRD4MAPT

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 CYP19A1 243/4885KDM1A 449/4885MAOB 610/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 CYP19A1 243/4885KDM1A 449/4885MAOB 610/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 CYP19A1 243/4885KDM1A 449/4885MAOB 610/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 CYP19A1 243/4885KDM1A 449/4885MAOB 610/4885

“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.