SCHEMBL3590847

SCHEMBL3590847

Cc1ccc(-c2c(C)c(NC(=O)CC(C)(C)C)c(C)c3c2OCC3c2ccc(C(C)C)cc2)nc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
PANK3 Q9H999 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CACNA1H O95180 1/20 0.30
P2RX3 P56373 1/20 0.30
P2RX2 Q9UBL9 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
SCHEMBL3609677 0.88 ALDH1A1 (0.36) KCNQ3KCNQ2PANK3L3MBTL1NPC1
SCHEMBL3607378 0.88 L3MBTL1 (0.33) KCNQ3KCNQ2L3MBTL1NPC1MAPT
SCHEMBL3600072 0.88
SCHEMBL3605133 0.86 AAK1 (0.31) KCNQ3KCNQ2L3MBTL1
SCHEMBL3590832 0.85 L3MBTL1 (0.35) KCNQ3KCNQ2L3MBTL1MAPTRAB9A
SCHEMBL3598141 0.85 L3MBTL1 (0.35) KCNQ3KCNQ2L3MBTL1MAPTRAB9A
SCHEMBL3595273 0.85 L3MBTL1 (0.35) KCNQ3KCNQ2L3MBTL1MAPTRAB9A
SCHEMBL3609831 0.85 AAK1 (0.33) KCNQ3KCNQ2L3MBTL1SMN1; SMN2
SCHEMBL3603081 0.85 KCNQ3 (0.31) KCNQ3KCNQ2L3MBTL1SMN1; SMN2
SCHEMBL3596503 0.85 GRIA2 (0.32) KCNQ3KCNQ2L3MBTL1SMN1; 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 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 KCNQ3 1050/4885KCNQ2 630/4885PANK3 2655/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KCNQ3 1050/4885KCNQ2 630/4885PANK3 2655/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KCNQ3 1050/4885KCNQ2 630/4885PANK3 2655/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KCNQ3 1050/4885KCNQ2 630/4885PANK3 2655/4885

“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.