SCHEMBL3596158

SCHEMBL3596158

COc1cccc(C2COc3c(C)c(C)c(NC(=O)CC(C)(C)C)c(C)c32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.41
CYP19A1 P11511 1/20 0.40
KCNQ2 O43526 3/20 0.37
KCNQ3 O43525 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
EPHX2 P34913 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CACNA1F O60840 1/20 0.34
CACNA1D Q01668 1/20 0.34
CACNA1S Q13698 1/20 0.34
CACNA1C Q13936 1/20 0.34
NPC1 O15118 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
NCOR2 Q9Y618 1/20 0.34

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
SCHEMBL3600195 0.86 HPGD (0.40) BRD4KCNQ2KCNQ3MEN1KMT2A
SCHEMBL3602932 0.85 KCNQ2 (0.37) KCNQ2KCNQ3MEN1KMT2AHPGD
SCHEMBL3603206 0.85 KCNQ2 (0.43) KCNQ2KCNQ3MEN1KMT2AHPGD
SCHEMBL3603984 0.83 KCNQ2 (0.35) KCNQ2KCNQ3MEN1KMT2AHPGD
SCHEMBL3607772 0.83 KCNQ2 (0.36) KCNQ2KCNQ3MEN1KMT2AHPGD
SCHEMBL3598586 0.82 L3MBTL1 (0.38) CYP19A1KCNQ2KCNQ3MEN1KMT2A
SCHEMBL3605084 0.82 KCNQ2 (0.35) KCNQ2KCNQ3MEN1KMT2AALDH1A1
SCHEMBL3599208 0.82 MEN1 (0.36) KCNQ2MEN1KMT2AHPGDALDH1A1
SCHEMBL3599201 0.82 MEN1 (0.36) KCNQ2MEN1KMT2AHPGDALDH1A1
SCHEMBL3598208 0.82 HPGD (0.34) KCNQ2MEN1KMT2AHPGDALDH1A1

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 BRD4 63/4885CYP19A1 243/4885KCNQ2 630/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 BRD4 63/4885CYP19A1 243/4885KCNQ2 630/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 BRD4 63/4885CYP19A1 243/4885KCNQ2 630/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 BRD4 63/4885CYP19A1 243/4885KCNQ2 630/4885

“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.