SCHEMBL3600166

SCHEMBL3600166

Cc1c(C)c2c(c(C)c1NC(=O)CC(C)(C)C)C(c1ccc(C(C)C)c(O)c1)CO2

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.36
KCNQ2 O43526 7/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
KCNQ3 O43525 1/20 0.31
PKM P14618 1/20 0.30
MAPT P10636 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 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
SCHEMBL3605084 0.88 KCNQ2 (0.35) MAOBKCNQ2L3MBTL1MEN1KMT2A
SCHEMBL3595273 0.85 L3MBTL1 (0.35) MAOBKCNQ2L3MBTL1MEN1HPGD
SCHEMBL3598141 0.85 L3MBTL1 (0.35) MAOBKCNQ2L3MBTL1MEN1HPGD
SCHEMBL3590832 0.85 L3MBTL1 (0.35) MAOBKCNQ2L3MBTL1MEN1HPGD
SCHEMBL3606401 0.85 ALDH1A1 (0.35) L3MBTL1MEN1KMT2AMAPT
SCHEMBL3603146 0.85 ALDH1A1 (0.35) KCNQ2L3MBTL1MEN1KMT2AKCNQ3
SCHEMBL3604429 0.85 MAPT (0.31) L3MBTL1MAPT
SCHEMBL14856353 0.85 NPC1 (0.32) KCNQ2L3MBTL1MEN1KMT2AKCNQ3
SCHEMBL4816784 0.83 KCNQ2 (0.30) KCNQ2
SCHEMBL3598586 0.83 L3MBTL1 (0.38) MAOBKCNQ2L3MBTL1MEN1HPGD

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 9 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-20100113326-A1 DIMERIC IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2010-05-06 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 (5 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 MAOB 610/4885KCNQ2 630/4885L3MBTL1 3559/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MAOB 610/4885KCNQ2 630/4885L3MBTL1 3559/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MAOB 610/4885KCNQ2 630/4885L3MBTL1 3559/4885
US-20100113326-A1 DIMERIC IAP INHIBITORS CCAR2, BIRC5, API5 MAOB 2739/4885KCNQ2 4068/4885L3MBTL1 1970/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MAOB 610/4885KCNQ2 630/4885L3MBTL1 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.