SCHEMBL3609831

SCHEMBL3609831

Cc1c(NC(=O)CC(C)(C)C)c(C)c2c(c1-c1ccncc1)OCC2c1ccc(C(C)C)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.33
BUB1 O43683 1/20 0.31
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
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
SCHEMBL3587470 0.91 SMN1; SMN2 (0.34) KCNQ2L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL3607378 0.91 L3MBTL1 (0.33) KCNQ3KCNQ2L3MBTL1SMN1; SMN2
SCHEMBL3605133 0.91 AAK1 (0.31) AAK1KCNQ3KCNQ2L3MBTL1
SCHEMBL3601500 0.90 NPC1 (0.33) AAK1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL3605799 0.89 L3MBTL1 (0.30) L3MBTL1
SCHEMBL3594145 0.88 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2
SCHEMBL3605861 0.88 MEN1 (0.35) KCNQ3KCNQ2ALDH1A1SMN1; SMN2
SCHEMBL3603426 0.87 L3MBTL1 (0.30) L3MBTL1
SCHEMBL3609677 0.86 ALDH1A1 (0.36) KCNQ3KCNQ2L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL3598141 0.86 L3MBTL1 (0.35) AAK1KCNQ3KCNQ2L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 AAK1 1182/4885BUB1 3276/4885KCNQ3 1050/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 AAK1 1182/4885BUB1 3276/4885KCNQ3 1050/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 AAK1 1182/4885BUB1 3276/4885KCNQ3 1050/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 AAK1 1182/4885BUB1 3276/4885KCNQ3 1050/4885

“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.