SCHEMBL3605267

SCHEMBL3605267

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.47
BRD4 O60885 2/20 0.41
HTR2C P28335 4/20 0.39
HTR2A P28223 2/20 0.39
HTR2B P41595 2/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
GID4 Q8IVV7 1/20 0.39
KDM1A O60341 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37
SLC9A1 P19634 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 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
SCHEMBL3601050 0.82 CYP19A1 (0.49) CYP19A1BRD4HTR2CHTR2AHTR2B
SCHEMBL3601467 0.80 CYP19A1 (0.32) CYP19A1
SCHEMBL3604568 0.77 CYP19A1 (0.43) CYP19A1BRD4KDM1AALDH1A1CYP3A4
SCHEMBL3596158 0.74 BRD4 (0.41) CYP19A1BRD4HTR2CHTR2AHTR2B
SCHEMBL6204978 0.69 MAPK1 (0.55) CYP19A1HTR2CHTR2AHTR2BDDB1
SCHEMBL23676966 0.66 HTR2C (0.61) HTR2CHTR2AHTR2BDDB1CRBN
SCHEMBL936624 0.65 HTR2C (0.54) CYP19A1HTR2CHTR2AHTR2BDDB1
SCHEMBL6493903 0.65 HTR2C (0.54) CYP19A1HTR2CHTR2AHTR2BDDB1
SCHEMBL7784267 0.65 HTR2C (0.54) CYP19A1HTR2CHTR2AHTR2BDDB1
SCHEMBL5498695 0.65 CYP19A1 (0.83) CYP19A1ALDH1A1CYP3A4

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 243/4885BRD4 63/4885HTR2C 301/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 CYP19A1 243/4885BRD4 63/4885HTR2C 301/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 CYP19A1 243/4885BRD4 63/4885HTR2C 301/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 CYP19A1 243/4885BRD4 63/4885HTR2C 301/4885

“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.