SCHEMBL3336176

SCHEMBL3336176

CNC[C@H](CC1CCCCC1)NC(=O)N(C)CC[C@@]1(CCCNC(=O)O)NC(=O)c2ccc(Cl)cc21

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.40
CYP3A4 P08684 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 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
SCHEMBL3336169 1.00 REN (0.40) RENCYP3A4MEN1KMT2AMMP1
SCHEMBL499412 0.93 REN (0.44) RENCYP3A4
SCHEMBL499413 0.93 REN (0.44) RENCYP3A4
SCHEMBL499411 0.93 REN (0.44) RENCYP3A4
SCHEMBL499788 0.89 REN (0.43) REN
SCHEMBL498973 0.89 REN (0.43) REN
SCHEMBL499789 0.89 REN (0.43) REN
SCHEMBL498972 0.89 REN (0.43) REN
SCHEMBL499640 0.85 REN (0.44) RENCYP3A4
SCHEMBL499638 0.85 REN (0.44) RENCYP3A4

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-20100144825-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-06-10 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-20100144825-A1 Renin Inhibitors ACE, REN, DNPEP REN 2/4885CYP3A4 1848/4885MEN1 2445/4885

“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.