SCHEMBL9939849

SCHEMBL9939849

CC1(C(=O)NCc2ccc(Cl)c(Nc3nc4ccc(N5CCCC5)cc4[nH]3)c2)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
KCNH2 Q12809 2/20 0.40
ENPP2 Q13822 5/20 0.39
BRD4 O60885 1/20 0.39
METAP2 P50579 1/20 0.38
TRPV1 Q8NER1 3/20 0.37
CNR1 P21554 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
KDM1A O60341 2/20 0.36
FLT3 P36888 1/20 0.36
RAF1 P04049 1/20 0.35

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
SCHEMBL9939890 0.95 DRD2 (0.41) DRD2DRD4KCNH2ENPP2BRD4
SCHEMBL9939775 0.92 DRD2 (0.40) DRD2DRD4ENPP2TRPV1CNR1
SCHEMBL9939894 0.85 PTGES (0.46) DRD2DRD4KCNH2TRPV1KDM1A
SCHEMBL9939884 0.84 OPRL1 (0.42) DRD2DRD4KCNH2KDM1A
SCHEMBL9939885 0.83 PTGES (0.44) DRD2DRD4ENPP2TRPV1
SCHEMBL3106173 0.82 HPGD (0.39) ENPP2
SCHEMBL11963667 0.82 HPGD (0.40)
SCHEMBL1727196 0.81 POLB (0.37)
SCHEMBL9939773 0.81 AKT2 (0.42) KCNH2ENPP2TRPV1CNR1
SCHEMBL14238211 0.80 CNR1 (0.36) ENPP2TRPV1CNR1

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 1929/4885KCNH2 3874/4885

“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.