SCHEMBL2327666

SCHEMBL2327666

NC(=O)C1(N2CCCCC2)CCN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)[nH]2)CC1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ ALPL P05186 3/20 0.45
▸ USP2 O75604 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ GAA P10253 1/20 0.43

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
SCHEMBL1260541 0.80 CNR1 (0.60) CNR1CYP2C19ALDH1A1TP53LMNA
SCHEMBL1128121 0.76 CNR1 (0.56) CNR1CYP2C19ALDH1A1TP53LMNA
SCHEMBL5111398 0.76 CNR1 (0.59) CNR1CYP2C19ALDH1A1TP53USP2
SCHEMBL476512 0.73 CYP2C19 (0.43) CNR1CYP2C19ALDH1A1TP53LMNA
SCHEMBL2538909 0.73 CNR1 (0.64) CNR1CYP2C19ALDH1A1TP53LMNA
SCHEMBL2329351 0.73 CNR1 (0.88) CNR1CYP2C19ALDH1A1TP53LMNA
SCHEMBL1127743 0.72 CNR1 (0.53) CNR1CYP2C19ALDH1A1TP53LMNA
SCHEMBL1986300 0.71 CYP2C19 (0.47) CNR1CYP2C19ALDH1A1TP53LMNA
SCHEMBL1988428 0.71 CNR1 (0.53) CNR1CYP2C19ALDH1A1TP53LMNA
SCHEMBL1986717 0.71 CNR1 (0.52) CNR1CYP2C19ALDH1A1TP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044072-B2 Pyrrole derivatives, preparation thereof and therapeutic use thereof SANOFI AVENTIS (FR) 2011-10-25 — — US disclosed
EP-2094656-B1 P<0}{0PYRROL DERIVATIVES, PREPARATION AND USE OF THE SAME IN THERAPY<0} SANOFI SA (FR) 2011-08-17 — — EP disclosed
US-20090281116-A1 PYRROLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-11-12 — — US 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-20090281116-A1 PYRROLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PRMT9, PYCR1, EPOR CNR1 177/4885CYP2C19 52/4885ALDH1A1 349/4885

“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.

Send feedback