SCHEMBL556664

SCHEMBL556664

COCC(F)(F)COCc1ccc([C@@]2(O)CCN(C(=O)O)C(C(C)(C)C)[C@@H]2c2ccc(-c3ccccc3CCNC(C)=O)cc2C)cn1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.56
REN P00797 11/20 0.56
SCN9A Q15858 5/20 0.40
CYP3A4 P08684 4/20 0.32
SCN5A Q14524 1/20 0.32
CD274 Q9NZQ7 4/20 0.32

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
SCHEMBL556538 0.91 REN (0.68) KCNH2RENCYP3A4CD274
SCHEMBL556663 0.83 KCNH2 (0.60) KCNH2RENSCN9ACYP3A4CD274
SCHEMBL556638 0.82 REN (0.82) KCNH2RENSCN9ACYP3A4
SCHEMBL557671 0.77 REN (0.60) KCNH2RENCYP3A4
SCHEMBL556611 0.76 REN (0.59) KCNH2RENCYP3A4
SCHEMBL7872419 0.76 REN (0.72) KCNH2RENSCN9ACYP3A4
SCHEMBL557192 0.76 REN (0.59) KCNH2RENCYP3A4
SCHEMBL556138 0.75 REN (0.58) KCNH2RENCYP3A4CD274
SCHEMBL556434 0.74 REN (0.56) KCNH2RENCYP3A4
SCHEMBL556537 0.74 KCNH2 (0.72) KCNH2RENSCN9ACYP3A4SCN5A

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 KCNH2 1198/4885REN 1/4885SCN9A 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.