SCHEMBL4601798

SCHEMBL4601798

Cc1ccc2cccc(OCc3c(C)ccc(N4CCC[C@@H]4CN4C(=O)c5ccccc5C4=O)c3C)c2n1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 12/20 0.56
PTGDR2 Q9Y5Y4 1/20 0.39
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL4600764 0.85 BDKRB2 (0.61) BDKRB2PTGDR2KDM4EPOLBMAPT
SCHEMBL4600398 0.80 BDKRB2 (0.58) BDKRB2PTGDR2KDM4EPOLBMAPT
SCHEMBL4600400 0.80 BDKRB2 (0.58) BDKRB2PTGDR2KDM4EPOLBMAPT
SCHEMBL4602993 0.76 BDKRB2 (0.54) BDKRB2PTGDR2KDM4EPOLBMAPT
SCHEMBL6646929 0.72 GAA (0.52) BDKRB2PTGDR2KDM4EPOLBMAPT
SCHEMBL4616222 0.72 BDKRB2 (1.00) BDKRB2
SCHEMBL6643730 0.72 BDKRB2 (0.56) BDKRB2
SCHEMBL7011457 0.72 BDKRB2 (0.54) BDKRB2PTGDR2KDM4ELMNAMEN1
SCHEMBL6646927 0.70 BDKRB2 (0.48) BDKRB2PTGDR2
SCHEMBL4600928 0.69 MEN1 (0.61) BDKRB2PTGDR2KDM4EMAPTLMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1914236-A1 Novel heteroaryl alkylamide derivatives useful as bradykinin receptor modulators Ortho-McNeil Pharmaceutical, Inc. (US) 2008-04-23 EP disclosed
US-7358261-B2 Heteroaryl alkylamide derivatives useful as bradykinin receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-04-15 US disclosed
US-6958349-B2 Heteroaryl alkylamide derivatives useful as bradykinin receptor modulators ORTHO-MCNEIL PHARMACEUTICALS, INC. (US) 2005-10-25 US disclosed
US-20050159443-A1 Novel heteroaryl alkylamide derivatives useful as bradykinin receptor modulators CARSON JOHN R (US) 2005-07-21 US disclosed
EP-1495017-A2 NOVEL HETEROARYL ALKYLAMIDE DERIVATIVES USEFUL AS BRADYKININ RECEPTOR MODULATORS Ortho-McNeil Pharmaceutical, Inc. (US) 2005-01-12 EP disclosed
US-20040192720-A1 Novel heteroaryl alkylamide derivatives useful as bradykinin receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-09-30 US disclosed
WO-2003087090-A2 NOVEL HETEROARYL ALKYLAMIDE DERIVATIVES USEFUL AS BRADYKININ RECEPTOR MODULATORS ORTHO-MCNEIL PHARMACEUTICAL,INC. (US) 2003-10-23 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 (2 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-20040192720-A1 Novel heteroaryl alkylamide derivatives useful as bradykinin receptor modulators BDKRB2, BDKRB1, MRGPRX1 BDKRB2 1/4885PTGDR2 65/4885KDM4E 1624/4885
US-20050159443-A1 Novel heteroaryl alkylamide derivatives useful as bradykinin receptor modulators BDKRB2, BDKRB1, MRGPRX1 BDKRB2 1/4885PTGDR2 65/4885KDM4E 1624/4885

“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.