SCHEMBL3600290

SCHEMBL3600290

Cc1c(NC(=O)CC(C)(C)C)c(C)c2c(c1-c1nccs1)OCC2c1ccc(C(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.36
ADORA1 P30542 8/20 0.36
ADORA2B P29275 1/20 0.35
KDM4E B2RXH2 1/20 0.33
KCNQ2 O43526 5/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3605779 0.88 HDAC3 (0.31) KCNQ2
SCHEMBL3606374 0.85 NPC1 (0.38) KDM4EKCNQ2RAB9AMEN1KMT2A
SCHEMBL3609677 0.85 ALDH1A1 (0.36) KDM4EKCNQ2RAB9AMEN1KMT2A
SCHEMBL3609831 0.85 AAK1 (0.33) KCNQ2
SCHEMBL3605799 0.84 L3MBTL1 (0.30)
SCHEMBL3590847 0.84 KCNQ3 (0.33) KCNQ2RAB9A
SCHEMBL3595273 0.83 L3MBTL1 (0.35) KDM4EKCNQ2RAB9AMEN1KMT2A
SCHEMBL3598141 0.83 L3MBTL1 (0.35) KDM4EKCNQ2RAB9AMEN1KMT2A
SCHEMBL3590832 0.83 L3MBTL1 (0.35) KDM4EKCNQ2RAB9AMEN1KMT2A
SCHEMBL3607378 0.83 L3MBTL1 (0.33) KCNQ2RAB9AMEN1KMT2A

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 ADORA2A 65/4885ADORA1 38/4885ADORA2B 43/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ADORA2A 65/4885ADORA1 38/4885ADORA2B 43/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ADORA2A 65/4885ADORA1 38/4885ADORA2B 43/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ADORA2A 65/4885ADORA1 38/4885ADORA2B 43/4885

“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.