SCHEMBL1751972

SCHEMBL1751972

COC(=O)C1=C(c2ccc(OCc3cc(-c4c(F)ccc(F)c4Cl)no3)nc2)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
REN P00797 5/20 0.38
GABRA5 P31644 5/20 0.37
ACACB O00763 1/20 0.37
MKNK1 Q9BUB5 2/20 0.35
PIK3CD O00329 1/20 0.33
ESR2 Q92731 1/20 0.33
GPR119 Q8TDV5 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
SCHEMBL1752285 0.93 REN (0.36) PKMRENGABRA5ACACBMKNK1
SCHEMBL1751969 0.93 REN (0.38) PKMRENGABRA5ACACBMKNK1
SCHEMBL1751635 0.91 PKM (0.42) PKMRENMKNK1
SCHEMBL1752014 0.84 MAPT (0.38) PKMRENMKNK1
SCHEMBL1751251 0.81 REN (0.56) REN
SCHEMBL1751230 0.79 REN (0.40) PKMRENGABRA5PIK3CDGPR119
SCHEMBL1751901 0.75 REN (0.49) RENGABRA5GPR119
SCHEMBL2635707 0.74 REN (0.44) REN
SCHEMBL1752582 0.74 ACACB (0.40) GABRA5ACACBPIK3CDESR2GPR119
SCHEMBL4687040 0.73 REN (0.39) PKMRENGABRA5

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 PKM 439/4885REN 1/4885GABRA5 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.