SCHEMBL556095

SCHEMBL556095

Cc1cc(Cl)c(OCCOc2ccc([C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3/C=N/O)cc2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.40
REN P00797 9/20 0.38
CYP3A4 P08684 6/20 0.38
KCNH2 Q12809 4/20 0.38

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
SCHEMBL556676 0.91 GPR119 (0.41) GPR119RENCYP3A4KCNH2
SCHEMBL3264631 0.85 KCNH2 (0.47) GPR119RENCYP3A4KCNH2
SCHEMBL557592 0.85 PDE4B (0.43) GPR119RENCYP3A4KCNH2
SCHEMBL556513 0.85 KCNH2 (0.47) GPR119RENCYP3A4KCNH2
SCHEMBL3264633 0.85 KCNH2 (0.47) GPR119RENCYP3A4KCNH2
SCHEMBL1751490 0.83 PDE4B (0.51) RENCYP3A4KCNH2
SCHEMBL1750732 0.83 PDE4B (0.51) RENCYP3A4KCNH2
SCHEMBL2783355 0.83 REN (0.43) GPR119RENCYP3A4KCNH2
SCHEMBL2783354 0.83 REN (0.43) GPR119RENCYP3A4KCNH2
SCHEMBL556096 0.76 REN (0.40) RENCYP3A4KCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 GPR119 487/4885REN 1/4885CYP3A4 766/4885

“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.