SCHEMBL556089

SCHEMBL556089

CC(=O)NCCc1ccccc1-c1nnc([C@H]2CN(C(=O)OC(C)(C)C)[C@@H](C)C[C@@H]2c2ccc(F)c(F)c2)n1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 13/20 0.41
KCNH2 Q12809 12/20 0.41
CYP3A4 P08684 8/20 0.41
AKT1 P31749 1/20 0.33
NTRK1 P04629 3/20 0.33
ABL1 P00519 1/20 0.31
BCR P11274 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL555598 0.87 NTRK1 (0.35) CYP3A4NTRK1ABL1BCR
SCHEMBL556510 0.83 NTRK1 (0.35) AKT1NTRK1
SCHEMBL556907 0.82 REN (0.48) RENKCNH2CYP3A4AKT1
SCHEMBL556906 0.82 REN (0.48) RENKCNH2CYP3A4AKT1
SCHEMBL557232 0.80 REN (0.63) RENKCNH2CYP3A4AKT1NTRK1
SCHEMBL556090 0.80 REN (0.42) RENKCNH2CYP3A4AKT1KDM4E
SCHEMBL535120 0.70 TACR3 (0.40)
SCHEMBL556954 0.69 REN (0.68) RENKCNH2CYP3A4NTRK1
SCHEMBL555872 0.69 REN (0.68) RENKCNH2CYP3A4NTRK1
SCHEMBL557595 0.67 PDE4B (0.43) CYP3A4NTRK1

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.