SCHEMBL3606818

SCHEMBL3606818

Cc1c2c(c3ccccc3c1NC(=O)CC(C)(C)C)OCC2c1ccc(C(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
KCNQ2 O43526 7/20 0.33
KCNQ3 O43525 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
MAOB P27338 1/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GFER P55789 1/20 0.31
TP53 P04637 1/20 0.31
THRB P10828 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
SCHEMBL3590832 0.88 L3MBTL1 (0.35) HPGDALDH1A1KDM4EKCNQ2KCNQ3
SCHEMBL3595273 0.88 L3MBTL1 (0.35) HPGDALDH1A1KDM4EKCNQ2KCNQ3
SCHEMBL3598141 0.88 L3MBTL1 (0.35) HPGDALDH1A1KDM4EKCNQ2KCNQ3
SCHEMBL3595290 0.88 MAPT (0.33) HPGDALDH1A1KDM4EKCNQ2L3MBTL1
SCHEMBL3587470 0.88 SMN1; SMN2 (0.34) HPGDALDH1A1KDM4EKCNQ2L3MBTL1
SCHEMBL3591303 0.87 L3MBTL1 (0.34) HPGDALDH1A1KCNQ2KCNQ3L3MBTL1
SCHEMBL3598682 0.87 L3MBTL1 (0.34) HPGDALDH1A1KCNQ2KCNQ3L3MBTL1
SCHEMBL3601779 0.86 L3MBTL1 (0.35) HPGDALDH1A1KDM4EKCNQ2KCNQ3
SCHEMBL3605705 0.86 L3MBTL1 (0.35) HPGDALDH1A1KDM4EKCNQ2KCNQ3
SCHEMBL3592392 0.86 KCNQ2 (0.38) HPGDALDH1A1KDM4EKCNQ2KCNQ3

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 HPGD 1416/4885ALDH1A1 1463/4885KDM4E 737/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 HPGD 1416/4885ALDH1A1 1463/4885KDM4E 737/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 HPGD 1416/4885ALDH1A1 1463/4885KDM4E 737/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 HPGD 1416/4885ALDH1A1 1463/4885KDM4E 737/4885

“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.