SCHEMBL3608081

SCHEMBL3608081

CC(C)c1ccc(C2c3cc(N(C)C(=O)CC(C)(C)C)ccc3OC2(C)C)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 15/20 0.33
KCNE1 P15382 3/20 0.31
KCNQ1 P51787 3/20 0.31
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
KCNA5 P22460 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
SCHEMBL3602995 0.79 HPGD (0.39) ABCB1TP53MAPT
SCHEMBL4043216 0.73 ESR1 (0.34) ABCB1TP53MAPT
SCHEMBL3603597 0.72 MAPT (0.33) ABCB1TP53MAPT
SCHEMBL3592061 0.71 HTR2B (0.33) ABCB1TP53MAPT
SCHEMBL3596490 0.71 MAPT (0.37) ABCB1TP53MAPT
SCHEMBL3609026 0.69 ALDH1A1 (0.40) TP53MAPT
SCHEMBL3591342 0.69 KCNQ2 (0.40)
SCHEMBL3604915 0.68 HTT (0.34) TP53MAPT
SCHEMBL3592483 0.68 ABCB1 (0.38) ABCB1KCNE1KCNQ1TP53MAPT
SCHEMBL3602735 0.67 L3MBTL1 (0.36)

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 6 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-20080021087-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-01-24 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 (3 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 ABCB1 705/4885KCNE1 636/4885KCNQ1 676/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ABCB1 705/4885KCNE1 636/4885KCNQ1 676/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ABCB1 705/4885KCNE1 636/4885KCNQ1 676/4885

“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.