SCHEMBL4600928

SCHEMBL4600928

Cc1ccc2cccc(OCc3c(C)ccc(Br)c3C)c2n1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
BDKRB2 P30411 10/20 0.58
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
PTGDR2 Q9Y5Y4 1/20 0.48
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL6581462 0.85 BDKRB2 (0.58) MEN1KMT2ABDKRB2KDM4ELMNA
SCHEMBL4601156 0.82 BDKRB2 (0.56) MEN1KMT2ABDKRB2KDM4ELMNA
SCHEMBL14223844 0.81 BDKRB2 (0.55) MEN1KMT2ABDKRB2KDM4ELMNA
SCHEMBL4600159 0.81 BDKRB2 (0.54) MEN1KMT2ABDKRB2KDM4ELMNA
SCHEMBL7011457 0.81 BDKRB2 (0.54) MEN1KMT2ABDKRB2KDM4ELMNA
SCHEMBL6581449 0.80 MEN1 (0.59) MEN1KMT2ABDKRB2KDM4ELMNA
SCHEMBL7017870 0.77 BDKRB2 (0.57) MEN1KMT2ABDKRB2KDM4ELMNA
SCHEMBL7746973 0.77 BDKRB2 (0.82) MEN1KMT2ABDKRB2KDM4ELMNA
SCHEMBL7013560 0.76 BDKRB2 (0.50) MEN1KMT2ABDKRB2KDM4ELMNA
SCHEMBL28586174 0.76 MEN1 (1.00) MEN1KMT2ABDKRB2KDM4ELMNA

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 MEN1 3513/4885KMT2A 709/4885BDKRB2 1/4885
US-20050159443-A1 Novel heteroaryl alkylamide derivatives useful as bradykinin receptor modulators BDKRB2, BDKRB1, MRGPRX1 MEN1 3513/4885KMT2A 709/4885BDKRB2 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.