SCHEMBL4088002

SCHEMBL4088002

Cc1ccc(C2c3c(C)c(NC(=O)O)c(C)c(C)c3OC2(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.36
NR1I2 O75469 1/20 0.36
IDO1 P14902 1/20 0.36
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
HDAC4 P56524 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
SCHEMBL4092709 0.88 TP53 (0.31) ALDH1A1
SCHEMBL3605928 0.86 ADORA3 (0.36) CYP2C19ALDH1A1
SCHEMBL3606148 0.84 HPGD (0.38) CYP2C19ALDH1A1CYP1A2CYP2C9HDAC4
SCHEMBL3609448 0.83 GAA (0.37) ALDH1A1HDAC4
SCHEMBL2913757 0.82 RAB9A (0.47) CYP2C19ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL2912943 0.80 PKM (0.49) ALDH1A1
SCHEMBL3594809 0.80 SMN1; SMN2 (0.46) ALDH1A1
SCHEMBL3612286 0.80 SMN1; SMN2 (0.46) ALDH1A1
SCHEMBL2947678 0.80 KDM4E (0.39) CYP2C19ALDH1A1CYP1A2CYP2C9
SCHEMBL3611032 0.79 NLRP3 (0.39) CYP2C19CYP3A4CYP2C9

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 7 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-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 (3 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-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 CYP2C19 95/4885NR1I2 159/4885IDO1 613/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 CYP2C19 95/4885NR1I2 159/4885IDO1 613/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 CYP2C19 95/4885NR1I2 159/4885IDO1 613/4885

“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.