SCHEMBL9939884

SCHEMBL9939884

CN1CCN(c2cc3[nH]c(Nc4cc(CNC(=O)C5(C)CCCCC5)ccc4Cl)nc3cc2Cl)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 9/20 0.42
OPRK1 P41145 3/20 0.42
OPRM1 P35372 2/20 0.42
KCNH2 Q12809 4/20 0.38
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
KDM1A O60341 1/20 0.38
PTGES O14684 3/20 0.37
HRH4 Q9H3N8 2/20 0.36
NPY2R P49146 1/20 0.36
CSF1R P07333 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 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
SCHEMBL9939894 0.92 PTGES (0.46) OPRL1OPRK1OPRM1KCNH2DRD2
SCHEMBL9939985 0.87 PTGES (0.45) OPRL1OPRK1OPRM1KCNH2KDM1A
SCHEMBL9939849 0.84 DRD2 (0.42) KCNH2DRD2DRD4KDM1A
SCHEMBL9939775 0.83 DRD2 (0.40) DRD2DRD4PTGES
SCHEMBL9939895 0.82 PDE7B (0.35) OPRL1KCNH2PTGES
SCHEMBL9939890 0.81 DRD2 (0.41) KCNH2DRD2DRD4KDM1APTGES
SCHEMBL3106173 0.81 HPGD (0.39) NPY2RALDH1A1
SCHEMBL1727196 0.80 POLB (0.37) PTGESMEN1ALDH1A1KMT2A
SCHEMBL9939991 0.80 ENPP2 (0.40) OPRL1OPRK1KCNH2PTGES
SCHEMBL9939820 0.79 PTGES (0.44) OPRL1OPRK1KCNH2PTGES

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 OPRL1 308/4885OPRK1 201/4885OPRM1 116/4885

“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.