SCHEMBL7869555

SCHEMBL7869555

COCCCc1cccc(C)c1-c1ccc([C@H]2CNCC[C@@H]2c2cccnc2)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 13/20 0.49
KCNH2 Q12809 8/20 0.49
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NMT1 P30419 1/20 0.33
KDM1A O60341 1/20 0.32
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
HTR6 P50406 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
SCHEMBL10202445 0.90 REN (0.60) RENKCNH2CYP3A4NMT1KDM1A
SCHEMBL10202451 0.84 REN (0.49) RENKCNH2CYP3A4NMT1HTR6
SCHEMBL535102 0.81 REN (0.36) RENKCNH2CYP3A4KDM4EALDH1A1
SCHEMBL7869553 0.81 REN (0.71) RENKCNH2CYP3A4KDM1A
SCHEMBL10202444 0.79 REN (0.47) RENKCNH2CYP3A4
SCHEMBL10202459 0.75 REN (0.47) RENKCNH2CYP3A4
SCHEMBL533862 0.73 REN (0.45) RENKCNH2KDM1A
SCHEMBL533861 0.73 REN (0.45) RENKCNH2KDM1A
SCHEMBL555694 0.73 REN (0.85) RENKCNH2CYP3A4
SCHEMBL10202449 0.73 REN (0.85) RENKCNH2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 WO 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.