SCHEMBL3604274

SCHEMBL3604274

C=C(C)COc1cc(C)c(NC(=O)CC(C)(C)C)c(C)c1Cc1ccc(C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.42
ACHE P22303 7/20 0.42
L3MBTL1 Q9Y468 2/20 0.39
KCNQ2 O43526 6/20 0.35
MAOB P27338 1/20 0.34
TP53 P04637 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL3598345 0.86 L3MBTL1 (0.43) BCHEACHEL3MBTL1KCNQ2MAOB
SCHEMBL3594323 0.81 L3MBTL1 (0.45) BCHEACHEL3MBTL1KCNQ2MAOB
SCHEMBL3600613 0.78 NLRP3 (0.37) L3MBTL1KCNQ2MAOBALDH1A1HTT
SCHEMBL3596672 0.72 L3MBTL1 (0.37) L3MBTL1KCNQ2MAOBTP53HTT
SCHEMBL3600396 0.72 MAPT (0.34) BCHEACHEL3MBTL1ALDH1A1HTT
SCHEMBL3594565 0.71 BCHE (0.43) BCHEACHEL3MBTL1TP53
SCHEMBL3600065 0.71 MAOB (0.38) BCHEACHEL3MBTL1KCNQ2MAOB
SCHEMBL3599627 0.69 KCNQ2 (0.35) L3MBTL1KCNQ2MAOB
SCHEMBL3601513 0.69 KCNQ2 (0.35) L3MBTL1KCNQ2MAOB
SCHEMBL3606275 0.68 KCNQ2 (0.34) L3MBTL1KCNQ2MAOBALDH1A1

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 BCHE 2613/4885ACHE 2032/4885L3MBTL1 3559/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 BCHE 2613/4885ACHE 2032/4885L3MBTL1 3559/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 BCHE 2613/4885ACHE 2032/4885L3MBTL1 3559/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 BCHE 2613/4885ACHE 2032/4885L3MBTL1 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.