SCHEMBL3598586

SCHEMBL3598586

Cc1ccc(C2COc3c(C)c(C)c(NC(=O)CC(C)(C)C)c(C)c32)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KCNQ2 O43526 10/20 0.36
KCNQ3 O43525 1/20 0.35
MAOB P27338 1/20 0.34
CYP19A1 P11511 1/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL3600195 0.91 HPGD (0.40) L3MBTL1HPGDMEN1KMT2AKCNQ2
SCHEMBL3609482 0.90 KCNQ2 (0.34) L3MBTL1HPGDMEN1KMT2AKCNQ2
SCHEMBL3598326 0.90 KCNQ2 (0.34) L3MBTL1HPGDMEN1KMT2AKCNQ2
SCHEMBL3600816 0.90 HPGD (0.36) L3MBTL1HPGDMEN1KMT2AKCNQ2
SCHEMBL3604627 0.89 MAOB (0.34) L3MBTL1HPGDMEN1KMT2AKCNQ2
SCHEMBL3598141 0.89 L3MBTL1 (0.35) L3MBTL1HPGDMEN1KMT2AKCNQ2
SCHEMBL3600827 0.89 HPGD (0.37) L3MBTL1HPGDMEN1KMT2AKCNQ2
SCHEMBL3595273 0.89 L3MBTL1 (0.35) L3MBTL1HPGDMEN1KMT2AKCNQ2
SCHEMBL3590832 0.89 L3MBTL1 (0.35) L3MBTL1HPGDMEN1KMT2AKCNQ2
SCHEMBL3593385 0.89 KCNQ2 (0.38) L3MBTL1HPGDMEN1KMT2AKCNQ2

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 3559/4885HPGD 1416/4885MEN1 3532/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 L3MBTL1 3559/4885HPGD 1416/4885MEN1 3532/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 L3MBTL1 3559/4885HPGD 1416/4885MEN1 3532/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 L3MBTL1 3559/4885HPGD 1416/4885MEN1 3532/4885

“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.