SCHEMBL533993

SCHEMBL533993

O=C(O)N1CCC(c2cccc3[nH]cnc23)C(c2ccc(Br)cc2Cl)C1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.41
IDO1 P14902 1/20 0.36
HSD11B1 P28845 1/20 0.34
CNR2 P34972 1/20 0.33
PARP1 P09874 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
SCHEMBL534353 0.77 REN (0.37)
SCHEMBL556569 0.77 SLC6A4 (0.32) CCKBR
SCHEMBL556570 0.77 SLC6A4 (0.32) CCKBR
SCHEMBL556568 0.77 SLC6A4 (0.32) CCKBR
SCHEMBL533961 0.75 SMN1; SMN2 (0.35)
SCHEMBL534498 0.75 SPR (0.43) HSD11B1
SCHEMBL556935 0.72 PROKR1 (0.42)
SCHEMBL534280 0.71 IDO1 (0.37) CCKBRIDO1PARP1
SCHEMBL534279 0.71 IDO1 (0.37) CCKBRIDO1PARP1
SCHEMBL534281 0.71 IDO1 (0.37) CCKBRIDO1PARP1

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 CCKBR 1653/4885IDO1 3324/4885HSD11B1 661/4885

“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.