SCHEMBL9939776

SCHEMBL9939776

CC(C)(CO)C(=O)NCc1ccc(Cl)c(Nc2nc3cc(N4CCCC4)ccc3[nH]2)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGES O14684 6/20 0.38
ENPP2 Q13822 5/20 0.37
CNR1 P21554 3/20 0.36
PTGS2 P35354 2/20 0.34
SMO Q99835 1/20 0.34
WDR5 P61964 1/20 0.34
POLB P06746 1/20 0.34
TRPV1 Q8NER1 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
SCHEMBL9939974 0.92 PTGES (0.43) PTGESENPP2CNR1SMO
SCHEMBL9939832 0.92 SMO (0.44) PTGESENPP2CNR1PTGS2SMO
SCHEMBL9939834 0.90 PTGES (0.38) PTGESENPP2CNR1PTGS2WDR5
SCHEMBL9939831 0.89 PTGES (0.41) PTGESENPP2CNR1
SCHEMBL9939775 0.84 DRD2 (0.40) PTGESENPP2CNR1PTGS2WDR5
SCHEMBL9939773 0.83 AKT2 (0.42) PTGESENPP2CNR1WDR5TRPV1
SCHEMBL9941944 0.82 SMO (0.44) PTGESENPP2CNR1SMOPOLB
SCHEMBL14238211 0.82 CNR1 (0.36) PTGESENPP2CNR1WDR5TRPV1
SCHEMBL9940039 0.81 PTGES (0.38) PTGESENPP2CNR1POLBTRPV1
SCHEMBL9939934 0.81 PTGES (0.43) PTGESENPP2TRPV1

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 PTGES 3/4885ENPP2 610/4885CNR1 48/4885

“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.