SCHEMBL9939775

SCHEMBL9939775

CC1(C(=O)NCc2ccc(Cl)c(Nc3nc4cc(N5CCCC5)ccc4[nH]3)c2)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
ENPP2 Q13822 6/20 0.38
PTGES O14684 1/20 0.37
CNR1 P21554 3/20 0.37
TRPV1 Q8NER1 3/20 0.36
GFER P55789 1/20 0.35
RET P07949 1/20 0.35
PTGS2 P35354 2/20 0.34
WDR5 P61964 1/20 0.34

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
SCHEMBL9939849 0.92 DRD2 (0.42) DRD2DRD4ENPP2CNR1TRPV1
SCHEMBL9939773 0.89 AKT2 (0.42) ENPP2PTGESCNR1TRPV1WDR5
SCHEMBL9939890 0.88 DRD2 (0.41) DRD2DRD4ENPP2PTGESTRPV1
SCHEMBL14238211 0.87 CNR1 (0.36) ENPP2PTGESCNR1TRPV1WDR5
SCHEMBL9939974 0.86 PTGES (0.43) ENPP2PTGESCNR1
SCHEMBL3106173 0.86 HPGD (0.39) ENPP2GFER
SCHEMBL1727196 0.85 POLB (0.37) PTGESRET
SCHEMBL9939834 0.84 PTGES (0.38) ENPP2PTGESCNR1TRPV1PTGS2
SCHEMBL1726361 0.84 ALDH1A1 (0.39) PTGES
SCHEMBL9939776 0.84 PTGES (0.38) ENPP2PTGESCNR1TRPV1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649052-B1 2-AMINOBENZIMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
US-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120309738-A1 NOVEL COMPOUNDS PTGER1, PTGS1, PTGES DRD2 1238/4885DRD4 1929/4885ENPP2 610/4885

“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.