SCHEMBL3609082

SCHEMBL3609082

Cc1c(NC(=O)CC(C)(C)C)c(C)c2c(-c3ccc(C(C)C)cc3)coc2c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
MAOB P27338 1/20 0.35
BDKRB1 P46663 2/20 0.33
HPGD P15428 4/20 0.33
ALDH1A1 P00352 2/20 0.33
KCNQ2 O43526 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
KIF11 P52732 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MAPT P10636 3/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
GPR35 Q9HC97 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL3603534 0.81 MAOB (0.38) L3MBTL1MAOBHPGDALDH1A1KCNQ2
SCHEMBL3600065 0.76 MAOB (0.38) L3MBTL1MAOBHPGDALDH1A1KCNQ2
SCHEMBL3106556 0.73 L3MBTL1 (0.59) L3MBTL1MAOBHPGDALDH1A1KCNQ2
SCHEMBL3599718 0.73 NPBWR1 (0.38) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL20953426 0.68 RAB9A (0.61) HPGDALDH1A1MEN1KMT2AKIF11
SCHEMBL3603873 0.67 L3MBTL1 (0.35) L3MBTL1MAOBHPGDALDH1A1KCNQ2
SCHEMBL3595273 0.67 L3MBTL1 (0.35) L3MBTL1MAOBHPGDALDH1A1KCNQ2
SCHEMBL3598141 0.67 L3MBTL1 (0.35) L3MBTL1MAOBHPGDALDH1A1KCNQ2
SCHEMBL3590832 0.67 L3MBTL1 (0.35) L3MBTL1MAOBHPGDALDH1A1KCNQ2
SCHEMBL3603872 0.67 L3MBTL1 (0.35) L3MBTL1MAOBHPGDALDH1A1KCNQ2

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 L3MBTL1 3559/4885MAOB 610/4885BDKRB1 74/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 L3MBTL1 3559/4885MAOB 610/4885BDKRB1 74/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 L3MBTL1 3559/4885MAOB 610/4885BDKRB1 74/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 L3MBTL1 3559/4885MAOB 610/4885BDKRB1 74/4885

“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.