SCHEMBL3600708

SCHEMBL3600708

Cc1c(C)c2c(c(C)c1NC(=O)CC(C)(C)C)C(O)(C1CCCCC1)C(C)(C)O2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 7/20 0.36
KCNQ3 O43525 4/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
HPGD P15428 1/20 0.30
KCNQ4 P56696 1/20 0.30
KCNQ5 Q9NR82 1/20 0.30
ACKR3 P25106 1/20 0.30
GAA P10253 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL3594411 0.73 KCNQ2 (0.39) KCNQ2KCNQ3L3MBTL1MEN1KMT2A
SCHEMBL3605122 0.73 KCNQ2 (0.39) KCNQ2L3MBTL1MEN1KMT2AHPGD
SCHEMBL3605196 0.70 HPGD (0.36) KCNQ2KCNQ3L3MBTL1MEN1KMT2A
SCHEMBL3590492 0.70 KCNQ2 (0.37) KCNQ2KCNQ3L3MBTL1MEN1KMT2A
SCHEMBL3605873 0.69 HPGD (0.37) KCNQ2L3MBTL1MEN1KMT2AHPGD
SCHEMBL3600292 0.68 KMT2A (0.36) KCNQ2MEN1KMT2AHPGD
SCHEMBL3590850 0.68 KCNQ2 (0.41) KCNQ2KCNQ3MEN1KMT2ACNR1
SCHEMBL3598768 0.68 KCNQ2 (0.39) KCNQ2KCNQ3L3MBTL1MEN1KMT2A
SCHEMBL3596623 0.67 KCNQ2 (0.42) KCNQ2KCNQ3CNR1CNR2
SCHEMBL3595540 0.66 KCNQ2 (0.40) KCNQ2KCNQ3L3MBTL1MEN1KMT2A

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 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.