SCHEMBL9939894

SCHEMBL9939894

CC1(C(=O)NCc2ccc(Cl)c(Nc3nc4cc(Cl)c(N5CCOCC5)cc4[nH]3)c2)CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.46
OPRL1 P41146 5/20 0.38
OPRK1 P41145 2/20 0.38
OPRM1 P35372 1/20 0.38
KDM1A O60341 2/20 0.37
EGLN1 Q9GZT9 1/20 0.37
KCNH2 Q12809 4/20 0.37
CYP2C19 P33261 1/20 0.36
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
PIK3CA P42336 1/20 0.34
HDAC1 Q13547 1/20 0.34
NPY2R P49146 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
SCHEMBL9939884 0.92 OPRL1 (0.42) PTGESOPRL1OPRK1OPRM1KDM1A
SCHEMBL9939890 0.90 DRD2 (0.41) PTGESKDM1AKCNH2CYP2C19DRD2
SCHEMBL9939886 0.86 PTGES (0.44) PTGESOPRL1OPRK1KDM1AEGLN1
SCHEMBL9939849 0.85 DRD2 (0.42) KDM1AKCNH2DRD2DRD4TRPV1
SCHEMBL9939775 0.82 DRD2 (0.40) PTGESDRD2DRD4TRPV1
SCHEMBL9939895 0.82 PDE7B (0.35) PTGESOPRL1KCNH2
SCHEMBL3106173 0.80 HPGD (0.39) NPY2R
SCHEMBL1727196 0.80 POLB (0.37) PTGES
SCHEMBL1726361 0.79 ALDH1A1 (0.39) PTGESCYP2C19LMNA
SCHEMBL11963664 0.79 PTGES (0.43) PTGESGAA

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 3/4885OPRL1 308/4885OPRK1 201/4885

“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.