SCHEMBL3589337

SCHEMBL3589337

Cc1ccccc1Cc1c(C)c(NC(=O)CC(C)(C)C)c(C)c2c1OC(C)(C)C2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 4/20 0.39
POLB P06746 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
HPGD P15428 3/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAOB P27338 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
EZH2 Q15910 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL3601737 0.88 KCNQ2 (0.38) KCNQ2POLBKMT2AMEN1HPGD
SCHEMBL3606164 0.81 KCNQ2 (0.35) KCNQ2KMT2AMEN1HPGDALDH1A1
SCHEMBL3599090 0.79 KCNQ2 (0.37) KCNQ2POLBKMT2AMEN1HPGD
SCHEMBL3604154 0.77 KCNQ2 (0.40) KCNQ2KMT2AMEN1HPGDALDH1A1
SCHEMBL3597526 0.77 KCNQ2 (0.36) KCNQ2KMT2AMEN1HPGDALDH1A1
SCHEMBL3597158 0.75 KCNQ2 (0.39) KCNQ2KMT2AMEN1HPGDALDH1A1
SCHEMBL3599822 0.73 KCNQ2 (0.37) KCNQ2KMT2AMEN1HPGDALDH1A1
SCHEMBL3600223 0.73 KCNQ2 (0.34) KCNQ2KMT2AMEN1HPGDALDH1A1
SCHEMBL3596027 0.72 KCNQ2 (0.51) KCNQ2L3MBTL1MAOB
SCHEMBL3607325 0.72 KCNQ2 (0.36) KCNQ2KMT2AMEN1HPGDALDH1A1

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 630/4885POLB 3511/4885KMT2A 1061/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KCNQ2 630/4885POLB 3511/4885KMT2A 1061/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KCNQ2 630/4885POLB 3511/4885KMT2A 1061/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KCNQ2 630/4885POLB 3511/4885KMT2A 1061/4885

“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.