SCHEMBL556088

SCHEMBL556088

O=C(O)N1CCC(c2cc(F)cc(F)c2)C(c2ccc(-c3ccccc3CO)cc2Cl)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.41
KCNH2 Q12809 6/20 0.41
CYP3A4 P08684 1/20 0.41
FPR1 P21462 2/20 0.35
FPR2 P25090 2/20 0.35
DPP4 P27487 2/20 0.35
PTPN5 P54829 1/20 0.34
HSD17B3 P37058 1/20 0.34
CHRM3 P20309 2/20 0.33
HSP90AA1 P07900 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
FFAR2 O15552 1/20 0.33
MGLL Q99685 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
SCHEMBL555877 0.81 REN (0.36) RENKCNH2CYP3A4CHRM3FFAR2
SCHEMBL555420 0.77 CD274 (0.40)
SCHEMBL556668 0.77 LIPE (0.36) RENKCNH2CYP3A4CHRM3FFAR2
SCHEMBL533938 0.76 REN (0.42) RENKCNH2CYP3A4DPP4CHRM3
SCHEMBL534057 0.75 REN (0.58) RENKCNH2CYP3A4DPP4CHRM3
SCHEMBL534317 0.74 PROKR1 (0.41) FFAR2
SCHEMBL534916 0.73 REN (0.54) RENKCNH2CYP3A4
SCHEMBL534056 0.72 REN (0.39) RENKCNH2CYP3A4DPP4CHRM3
SCHEMBL535144 0.72 REN (0.74) RENKCNH2CYP3A4
SCHEMBL535442 0.72 REN (0.41) RENKCNH2CYP3A4CHRM3

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 REN 1/4885KCNH2 1198/4885CYP3A4 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.