SCHEMBL3603146

SCHEMBL3603146

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
MAPT P10636 6/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 2/20 0.33
TSHR P16473 3/20 0.33
MAPK1 P28482 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TP53 P04637 5/20 0.32
THRB P10828 2/20 0.32
LMNA P02545 3/20 0.32
GAA P10253 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
NPC1 O15118 1/20 0.31
USP2 O75604 1/20 0.31
ALOX15 P16050 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
SCHEMBL3606401 0.93 ALDH1A1 (0.35) ALDH1A1MAPTL3MBTL1KDM4EPOLB
SCHEMBL3604429 0.90 MAPT (0.31) ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL3605084 0.90 KCNQ2 (0.35) ALDH1A1L3MBTL1KMT2AMEN1KCNQ3
SCHEMBL14856353 0.89 NPC1 (0.32) ALDH1A1MAPTL3MBTL1KDM4ETHRB
SCHEMBL4816784 0.86 KCNQ2 (0.30) KCNQ2
SCHEMBL3600166 0.85 MAOB (0.36) MAPTL3MBTL1KMT2AMEN1KCNQ3
SCHEMBL3595273 0.81 L3MBTL1 (0.35) ALDH1A1MAPTL3MBTL1KDM4EGAA
SCHEMBL3598141 0.81 L3MBTL1 (0.35) ALDH1A1MAPTL3MBTL1KDM4EGAA
SCHEMBL3590832 0.81 L3MBTL1 (0.35) ALDH1A1MAPTL3MBTL1KDM4EGAA
SCHEMBL3593910 0.80 KCNQ2 (0.33) L3MBTL1KMT2AMEN1SMN1; SMN2KCNQ3

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 ALDH1A1 1463/4885MAPT 4392/4885L3MBTL1 3559/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ALDH1A1 1463/4885MAPT 4392/4885L3MBTL1 3559/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ALDH1A1 1463/4885MAPT 4392/4885L3MBTL1 3559/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ALDH1A1 1463/4885MAPT 4392/4885L3MBTL1 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.