SCHEMBL534491

SCHEMBL534491

Cc1cc(Br)ccc1C1CN(C(=O)O)CCC1c1cccnc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.37
CHRM4 P08173 1/20 0.37
KDM4E B2RXH2 2/20 0.37
BLM P54132 1/20 0.37
ALOX15 P16050 1/20 0.37
CCR5 P51681 1/20 0.37
HSD11B1 P28845 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SCD O00767 1/20 0.36
SCD5 Q86SK9 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
NAMPT P43490 1/20 0.35

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
SCHEMBL534498 0.88 SPR (0.43) SPRKDM4EBLMALOX15CCR5
SCHEMBL555467 0.77 REN (0.61) NAMPT
SCHEMBL17667440 0.77 KDM4E (0.44) SPRKDM4EBLMALOX15CCR5
SCHEMBL556180 0.76 REN (0.38) CHRM4KDM4EBLMALOX15CCR5
SCHEMBL557048 0.76 GPR119 (0.46) SPRKDM4EALDH1A1MAPT
SCHEMBL535102 0.76 REN (0.36) SPRCHRM4KDM4EBLMALOX15
SCHEMBL8183234 0.75 HSD11B1 (0.44) SPRKDM4EBLMALOX15CCR5
SCHEMBL533862 0.74 REN (0.45) MAPTTSHRNPSR1CHRNB2CHRNA7
SCHEMBL533861 0.74 REN (0.45) MAPTTSHRNPSR1CHRNB2CHRNA7
SCHEMBL556315 0.73 REN (0.40) CCR5

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
EP-2413941-A1 RENIN INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-02-08 EP 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 SPR 193/4885CHRM4 4765/4885KDM4E 2653/4885

“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.