SCHEMBL3596503

SCHEMBL3596503

Cc1c(NC(=O)CC(C)(C)C)c(C)c2c(c1-c1ccc(F)nc1)OCC2c1ccc(C(C)C)cc1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.32
KCNH2 Q12809 1/20 0.32
KCNQ2 O43526 4/20 0.31
PTGS2 P35354 1/20 0.31
KCNQ3 O43525 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL3600944 0.90 KCNQ3 (0.33) KCNQ2PTGS2KCNQ3
SCHEMBL3606561 0.90 BMP1 (0.32)
SCHEMBL3607378 0.88 L3MBTL1 (0.33) KCNQ2KCNQ3SMN1; SMN2L3MBTL1
SCHEMBL3605133 0.87 AAK1 (0.31) KCNQ2KCNQ3L3MBTL1
SCHEMBL3601500 0.86 NPC1 (0.33) ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3607058 0.86 KCNQ2 (0.40) KCNQ2ALDH1A1L3MBTL1
SCHEMBL3609831 0.86 AAK1 (0.33) KCNQ2KCNQ3ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3587470 0.86 SMN1; SMN2 (0.34) KCNQ2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3605861 0.85 MEN1 (0.35) KCNQ2PTGS2KCNQ3ALDH1A1SMN1; SMN2
SCHEMBL3590847 0.85 KCNQ3 (0.33) KCNQ2KCNQ3SMN1; SMN2L3MBTL1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1637527-B1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL (JP) 2013-04-17 EP claimed
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-23 US claimed
US-20090023800-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-01-22 US claimed
US-20080021087-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-01-24 US claimed
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 GRIA2 788/4885KCNH2 443/4885KCNQ2 630/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 GRIA2 788/4885KCNH2 443/4885KCNQ2 630/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 GRIA2 788/4885KCNH2 443/4885KCNQ2 630/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 GRIA2 788/4885KCNH2 443/4885KCNQ2 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.