SCHEMBL533962

SCHEMBL533962

Cn1ccc(C2CCN(C(=O)O)CC2c2ccc(Br)cc2Cl)cc1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.40
KCNH2 Q12809 6/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 3/20 0.36
LMNA P02545 2/20 0.35
DPP4 P27487 1/20 0.34
TACR2 P21452 3/20 0.34
TACR1 P25103 3/20 0.34
TAC3 Q9UHF0 1/20 0.34
HTT P42858 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
OPRD1 P41143 1/20 0.32

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
SCHEMBL557502 0.82 REN (0.37) RENKCNH2DPP4
SCHEMBL556935 0.78 PROKR1 (0.42) KCNH2SMN1; SMN2L3MBTL1KDM4ELMNA
SCHEMBL534057 0.78 REN (0.58) RENKCNH2DPP4
SCHEMBL534498 0.77 SPR (0.43) RENKCNH2KDM4EHTT
SCHEMBL535144 0.76 REN (0.74) RENKCNH2LMNA
SCHEMBL533961 0.75 SMN1; SMN2 (0.35) SMN1; SMN2L3MBTL1KDM4ELMNADPP4
SCHEMBL557684 0.74 REN (0.61) RENKCNH2
SCHEMBL556463 0.74 REN (0.58) RENKCNH2SMN1; SMN2LMNASLC6A4
SCHEMBL556618 0.73 REN (0.75) RENKCNH2
SCHEMBL23291443 0.73 GRM5 (0.42) SMN1; SMN2L3MBTL1HTT

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 REN 1/4885KCNH2 1198/4885SMN1; SMN2 4604/4885

“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.