SCHEMBL557592

SCHEMBL557592

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

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.43
GPR119 Q8TDV5 6/20 0.42
SCN9A Q15858 1/20 0.41
KCNH2 Q12809 3/20 0.40
REN P00797 6/20 0.40
CYP3A4 P08684 6/20 0.40
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39

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
SCHEMBL3264631 0.88 KCNH2 (0.47) PDE4BGPR119KCNH2RENCYP3A4
SCHEMBL3264633 0.88 KCNH2 (0.47) PDE4BGPR119KCNH2RENCYP3A4
SCHEMBL556513 0.88 KCNH2 (0.47) PDE4BGPR119KCNH2RENCYP3A4
SCHEMBL556676 0.87 GPR119 (0.41) GPR119KCNH2RENCYP3A4
SCHEMBL1750732 0.86 PDE4B (0.51) PDE4BKCNH2RENCYP3A4
SCHEMBL1751490 0.86 PDE4B (0.51) PDE4BKCNH2RENCYP3A4
SCHEMBL2783354 0.85 REN (0.43) PDE4BGPR119KCNH2RENCYP3A4
SCHEMBL2783355 0.85 REN (0.43) PDE4BGPR119KCNH2RENCYP3A4
SCHEMBL18618571 0.85 GPR119 (0.48) PDE4BGPR119SCN9A
SCHEMBL556095 0.85 GPR119 (0.40) GPR119KCNH2RENCYP3A4

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 PDE4B 357/4885GPR119 487/4885SCN9A 3360/4885

“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.