SCHEMBL556180

SCHEMBL556180

COCCCc1c(C)cccc1C1CN(C(=O)O)CCC1c1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.38
LIPE Q05469 3/20 0.37
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
KMT2A Q03164 1/20 0.36
APLNR P35414 1/20 0.36
NAMPT P43490 1/20 0.35
KDM4E B2RXH2 2/20 0.35
BLM P54132 2/20 0.35
ALOX15 P16050 1/20 0.35
CCR5 P51681 1/20 0.35
GAA P10253 2/20 0.35
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
CHRM4 P08173 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL535102 0.84 REN (0.36) RENLIPEMEN1CYP3A4KMT2A
SCHEMBL556315 0.79 REN (0.40) RENMEN1CYP3A4KMT2ACCR5
SCHEMBL534916 0.79 REN (0.54) RENCYP3A4APLNR
SCHEMBL556179 0.78 ALDH1A1 (0.33) LIPEMEN1KMT2AKDM4EALDH1A1
SCHEMBL534491 0.76 SPR (0.37) NAMPTKDM4EBLMALOX15CCR5
SCHEMBL557570 0.73 REN (0.43) RENAPLNRKDM4EHSD17B10CHRM4
SCHEMBL17667440 0.71 KDM4E (0.44) MEN1KMT2ANAMPTKDM4EBLM
SCHEMBL534498 0.71 SPR (0.43) RENMEN1KMT2ANAMPTKDM4E
SCHEMBL8183234 0.70 HSD11B1 (0.44) MEN1KMT2ANAMPTKDM4EBLM
SCHEMBL555467 0.70 REN (0.61) RENCYP3A4NAMPT

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 1/4885LIPE 687/4885MEN1 4385/4885

“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.