SCHEMBL2543644

SCHEMBL2543644

COC(=O)c1cc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)n1CCCN

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.46
DPP4 P27487 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL2539560 0.85 CNR1 (0.60) CNR1CYP1A2CYP2C19
SCHEMBL4513915 0.82 CNR1 (0.44) CNR1DPP4CYP1A2CYP2C19KDM4E
SCHEMBL2539570 0.77 MAPT (0.43) CNR1DPP4KDM4EHSD17B10
SCHEMBL2539520 0.76 CNR1 (0.45) CNR1DPP4KDM4EHSD17B10
SCHEMBL2536778 0.75 CNR1 (0.48) CNR1
SCHEMBL2535608 0.74 CNR1 (0.62) CNR1
SCHEMBL2541063 0.74 GABRA2 (0.44) CNR1DPP4KDM4EHSD17B10
SCHEMBL4513922 0.74 CNR1 (0.38) CNR1DPP4CYP1A2CYP2C19KDM4E
SCHEMBL2906434 0.71 HSD11B1 (0.47) CNR1
SCHEMBL2535613 0.70 CNR1 (0.44) CNR1

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 2 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
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 177/4885DPP4 3530/4885CYP1A2 440/4885

“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.