SCHEMBL3603181

SCHEMBL3603181

COc1c(C)c(C(N)=O)c(C)c2c1OCC2c1ccc(C(C)C)cc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
RECQL P46063 1/20 0.31
BRD4 O60885 1/20 0.31
CYP19A1 P11511 1/20 0.31
POLB P06746 1/20 0.30
IDH1 O75874 1/20 0.30

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
SCHEMBL3607682 0.84 BRD4 (0.32) BRD4
SCHEMBL3595138 0.83 RECQL (0.32) ALOX15ALOX12RECQLCYP19A1
SCHEMBL3607414 0.83 ALDH1A1 (0.31) BRD4
SCHEMBL3611443 0.82 MEN1 (0.33) ALOX15ALOX12RECQLCYP19A1
SCHEMBL3602452 0.81 NPSR1 (0.36) BRD4
SCHEMBL6016029 0.79 POLB (0.32) BRD4POLB
SCHEMBL3603178 0.77 RECQL (0.31) RECQLCYP19A1
SCHEMBL3589595 0.76 MAPT (0.35) ALOX15ALOX12RECQLCYP19A1POLB
SCHEMBL3595723 0.76 KCNQ2 (0.38)
SCHEMBL3592392 0.76 KCNQ2 (0.38)

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 ALOX15 1523/4885ALOX12 1374/4885RECQL 3437/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ALOX15 1523/4885ALOX12 1374/4885RECQL 3437/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ALOX15 1523/4885ALOX12 1374/4885RECQL 3437/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ALOX15 1523/4885ALOX12 1374/4885RECQL 3437/4885

“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.