SCHEMBL3605779

SCHEMBL3605779

Cc1csc(-c2c(C)c(NC(=O)CC(C)(C)C)c(C)c3c2OCC3c2ccc(C(C)C)cc2)n1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
KCNQ3 O43525 2/20 0.31
KCNQ2 O43526 2/20 0.31
FABP4 P15090 2/20 0.31
FABP5 Q01469 2/20 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
SCHEMBL3600290 0.88 ADORA2A (0.36) KCNQ2
SCHEMBL3609831 0.86 AAK1 (0.33) KCNQ3KCNQ2
SCHEMBL3605799 0.85 L3MBTL1 (0.30)
SCHEMBL3606374 0.84 NPC1 (0.38) HDAC1KCNQ2
SCHEMBL3595273 0.84 L3MBTL1 (0.35) KCNQ3KCNQ2
SCHEMBL3598141 0.84 L3MBTL1 (0.35) KCNQ3KCNQ2
SCHEMBL3590832 0.84 L3MBTL1 (0.35) KCNQ3KCNQ2
SCHEMBL3587470 0.84 SMN1; SMN2 (0.34) KCNQ2
SCHEMBL3607378 0.84 L3MBTL1 (0.33) KCNQ3KCNQ2
SCHEMBL3605133 0.83 AAK1 (0.31) KCNQ3KCNQ2

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 HDAC3 403/4885HDAC1 286/4885HDAC6 1072/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 HDAC3 403/4885HDAC1 286/4885HDAC6 1072/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 HDAC3 403/4885HDAC1 286/4885HDAC6 1072/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 HDAC3 403/4885HDAC1 286/4885HDAC6 1072/4885

“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.