Sugi Predict

Sugi Predict / Compounds / SCHEMBL1985064

SCHEMBL1985064

SCHEMBL1985064

NC(=O)C1(N2CCC(F)(F)C2)CCN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)c2CCCCO)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.45
▸ CHRNA7 P36544 2/20 0.34
▸ CYP2C19 P33261 2/20 0.33
▸ USP2 O75604 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CNR2 P34972 3/20 0.32
▸ LMNA P02545 1/20 0.31
▸ NPBWR1 P48145 1/20 0.31
▸ RXFP1 Q9HBX9 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
SCHEMBL1985005 0.95 CNR1 (0.49) CNR1CHRNA7CYP2C19USP2ALDH1A1
SCHEMBL1986508 0.95 CNR1 (0.45) CNR1CHRNA7CYP2C19USP2ALDH1A1
SCHEMBL1985657 0.94 CNR1 (0.45) CNR1CHRNA7CYP2C19USP2ALDH1A1
SCHEMBL1987486 0.93 CNR1 (0.49) CNR1CHRNA7CYP2C19USP2ALDH1A1
SCHEMBL1985692 0.93 CNR1 (0.41) CNR1CHRNA7CYP2C19USP2ALDH1A1
SCHEMBL1985957 0.91 CNR1 (0.44) CNR1CHRNA7CYP2C19USP2ALDH1A1
SCHEMBL1989388 0.90 CNR1 (0.49) CNR1CHRNA7CYP2C19USP2ALDH1A1
SCHEMBL1988253 0.89 CNR1 (0.43) CNR1CHRNA7CYP2C19USP2ALDH1A1
SCHEMBL1989867 0.89 CYP2C19 (0.42) CNR1CYP2C19USP2ALDH1A1KDM4E
SCHEMBL1985769 0.88 CNR1 (0.59) CNR1CHRNA7CYP2C19USP2ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680102-B2 Pyrrole derivatives, their preparation and their therapeutic application SANOFI (FR) 2014-03-25 — — US disclosed
US-8680102-B2 Pyrrole derivatives, their preparation and their therapeutic application SANOFI (FR) 2014-03-25 — — US disclosed
US-20110152320-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2011-06-23 — — US disclosed
US-20110152320-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2011-06-23 — — US disclosed
US-20110152320-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2011-06-23 — — US disclosed
WO-2009141532-A2 PYRROLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-11-26 — — WO 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 (1 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-20110152320-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION CNR1, CNR2, GPR18 CNR1 1/4885CHRNA7 248/4885CYP2C19 678/4885

“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.