SCHEMBL1752248

SCHEMBL1752248

Cc1cc(Cl)c(OCCOc2ccc(C3=CCN(C(=O)OC(C)(C)C)CC3C(=O)O)cn2)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.38
PIK3CA P42336 2/20 0.36
GABRA5 P31644 2/20 0.36
PIK3CD O00329 1/20 0.35
WNT3A P56704 1/20 0.34
REN P00797 6/20 0.34
MMP13 P45452 1/20 0.34
RET P07949 1/20 0.34
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33
PGK1 P00558 1/20 0.33
USP30 Q70CQ3 1/20 0.33

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
SCHEMBL1751716 0.89 REN (0.38) GPR119REN
SCHEMBL1751769 0.78 ESR2 (0.39) GPR119PIK3CAGABRA5PIK3CDRET
SCHEMBL4786326 0.76 GPR119 (0.35) GPR119GABRA5PIK3CDRENMMP13
SCHEMBL4786330 0.76 GPR119 (0.35) GPR119GABRA5PIK3CDRENMMP13
SCHEMBL3053444 0.76 REN (0.44) GPR119PIK3CDRENNPBWR1MCHR1
SCHEMBL2781491 0.76 REN (0.44) GPR119PIK3CDRENNPBWR1MCHR1
SCHEMBL1752582 0.75 ACACB (0.40) GPR119PIK3CAGABRA5PIK3CDWNT3A
SCHEMBL1751230 0.73 REN (0.40) GPR119GABRA5PIK3CDREN
SCHEMBL1751768 0.72 REN (0.45) PIK3CDREN
SCHEMBL2635034 0.70 REN (0.56) REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968720-B2 Secondary amines as renin inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2011-06-28 US disclosed
US-20090176823-A1 Secondary Amines as Renin Inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2009-07-09 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-20090176823-A1 Secondary Amines as Renin Inhibitors REN, ACE, AGTR1 GPR119 353/4885PIK3CA 1304/4885GABRA5 2256/4885

“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.