SCHEMBL9939890

SCHEMBL9939890

CC1(C(=O)NCc2ccc(Cl)c(Nc3nc4ccc(N5CCOCC5)cc4[nH]3)c2)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
CYP2C19 P33261 1/20 0.41
KDM1A O60341 1/20 0.41
TRPV1 Q8NER1 1/20 0.39
ENPP2 Q13822 1/20 0.39
PTGES O14684 1/20 0.39
BRD4 O60885 1/20 0.38
PIK3CA P42336 2/20 0.38
STAT3 P40763 1/20 0.38
KCNH2 Q12809 2/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37

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 0.95 DRD2 (0.42) DRD2DRD4KDM1ATRPV1ENPP2
SCHEMBL9939894 0.90 PTGES (0.46) DRD2DRD4CYP2C19KDM1ATRPV1
SCHEMBL9939775 0.88 DRD2 (0.40) DRD2DRD4TRPV1ENPP2PTGES
SCHEMBL9939884 0.81 OPRL1 (0.42) DRD2DRD4KDM1APTGESKCNH2
SCHEMBL3106173 0.79 HPGD (0.39) ENPP2NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL9939885 0.79 PTGES (0.44) DRD2DRD4TRPV1ENPP2PTGES
SCHEMBL11963667 0.79 HPGD (0.40) PTGESMAPTSMN1; SMN2
SCHEMBL1727196 0.79 POLB (0.37) PTGESMAPTMAPK1SMN1; SMN2
SCHEMBL1726361 0.78 ALDH1A1 (0.39) CYP2C19PTGESNPC1MAPTRAB9A
SCHEMBL9939773 0.77 AKT2 (0.42) TRPV1ENPP2PTGESKCNH2SMN1; SMN2

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 1929/4885CYP2C19 311/4885

“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.