SCHEMBL9939895

SCHEMBL9939895

COC[C@@H]1CCCN1c1cc2[nH]c(Nc3cc(CNC(=O)C4(C)CCCCC4)ccc3Cl)nc2cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE7B Q9NP56 2/20 0.35
PDE5A O76074 4/20 0.34
MAP4K1 Q92918 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
CTNNB1 P35222 1/20 0.33
TCF7L2 Q9NQB0 1/20 0.33
OPRL1 P41146 1/20 0.33
KCNH2 Q12809 1/20 0.33
PTGES O14684 3/20 0.33
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
CDC42BPB Q9Y5S2 1/20 0.32
IDH1 O75874 2/20 0.32

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
SCHEMBL9905784 0.89 PTGES (0.44) PDE5AMAP4K1HRH3CTNNB1TCF7L2
SCHEMBL9905786 0.89 PTGES (0.44) PDE5AMAP4K1HRH3CTNNB1TCF7L2
SCHEMBL9939884 0.82 OPRL1 (0.42) OPRL1KCNH2PTGES
SCHEMBL9939894 0.82 PTGES (0.46) OPRL1KCNH2PTGES
SCHEMBL9939882 0.80 PTGES (0.43) PDE5AHRH3PTGES
SCHEMBL14119839 0.80 PTGES (0.43) PDE5AHRH3PTGES
SCHEMBL9940008 0.78 PTGES (0.42) HRH3PTGES
SCHEMBL9940007 0.78 ROCK2 (0.39) HRH3OPRL1PTGESROCK2
SCHEMBL9939849 0.78 DRD2 (0.42) KCNH2
SCHEMBL1726361 0.78 ALDH1A1 (0.39) PTGES

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 PDE7B 1115/4885PDE5A 552/4885MAP4K1 3290/4885

“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.