SCHEMBL534498

SCHEMBL534498

O=C(O)N1CCC(c2cccnc2)C(c2ccc(Br)cc2Cl)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 3/20 0.43
HSD11B1 P28845 1/20 0.40
REN P00797 1/20 0.38
KCNH2 Q12809 1/20 0.38
KDM4E B2RXH2 3/20 0.38
HTT P42858 2/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TBXAS1 P24557 1/20 0.37
PTGIS Q16647 1/20 0.37
CACNA1G O43497 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNA1I Q9P0X4 1/20 0.37
CCR5 P51681 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SCD O00767 1/20 0.36
SCD5 Q86SK9 1/20 0.36
PKM P14618 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
SCHEMBL534491 0.88 SPR (0.37) SPRHSD11B1KDM4EHTTMAPK1
SCHEMBL557048 0.86 GPR119 (0.46) SPRKDM4EMEN1KMT2AALDH1A1
SCHEMBL556935 0.79 PROKR1 (0.42) KCNH2KDM4ECCR5ALDH1A1
SCHEMBL557049 0.77 FNTA (0.35) SPRRENKCNH2KDM4EHTT
SCHEMBL533962 0.77 REN (0.40) RENKCNH2KDM4EHTT
SCHEMBL534916 0.76 REN (0.54) SPRRENKCNH2TBXAS1PTGIS
SCHEMBL8183234 0.75 HSD11B1 (0.44) SPRHSD11B1KDM4EMEN1KMT2A
SCHEMBL533993 0.75 CCKBR (0.41) HSD11B1
SCHEMBL17667440 0.74 KDM4E (0.44) SPRHSD11B1KDM4EMEN1KMT2A
SCHEMBL533991 0.74 REN (0.54) RENKCNH2KDM4EHTTMAPK1

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 193/4885HSD11B1 661/4885REN 1/4885

“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.