SCHEMBL3605506

SCHEMBL3605506

Cc1c(NC(=O)CC(C)(C)C)c(C)c2c(c1C(C)O)OC[C@@H]2c1ccc(C(C)C)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 4/20 0.33
KCNQ3 O43525 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAOB P27338 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL3602319 1.00 KCNQ2 (0.33) KCNQ2KCNQ3L3MBTL1MAOBALDH1A1
SCHEMBL3594825 0.94 L3MBTL1 (0.32) KCNQ2KCNQ3L3MBTL1MAOBALDH1A1
SCHEMBL3604370 0.92 L3MBTL1 (0.31) KCNQ2KCNQ3L3MBTL1
SCHEMBL3598532 0.92 L3MBTL1 (0.31) KCNQ2KCNQ3L3MBTL1
SCHEMBL3596766 0.92 L3MBTL1 (0.31) KCNQ2KCNQ3L3MBTL1
SCHEMBL3590832 0.90 L3MBTL1 (0.35) KCNQ2KCNQ3L3MBTL1MAOBALDH1A1
SCHEMBL3598141 0.90 L3MBTL1 (0.35) KCNQ2KCNQ3L3MBTL1MAOBALDH1A1
SCHEMBL3595273 0.90 L3MBTL1 (0.35) KCNQ2KCNQ3L3MBTL1MAOBALDH1A1
SCHEMBL3601987 0.90 KCNQ3 (0.31) KCNQ2KCNQ3L3MBTL1
SCHEMBL3598873 0.90 L3MBTL1 (0.33) KCNQ2L3MBTL1ALDH1A1SMN1; SMN2

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-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 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
JP-2011006335-A PHARMACEUTICAL COMPOSITION TAKEDA CHEM IND LTD 2011-01-13 JP 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 KCNQ2 630/4885KCNQ3 1050/4885L3MBTL1 3559/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KCNQ2 630/4885KCNQ3 1050/4885L3MBTL1 3559/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KCNQ2 630/4885KCNQ3 1050/4885L3MBTL1 3559/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KCNQ2 630/4885KCNQ3 1050/4885L3MBTL1 3559/4885

“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.