SCHEMBL4600978

SCHEMBL4600978

Cn1c(CC(=O)Cl)ccc1C(=O)c1ccc(C#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.53
AKR1B1 P15121 1/20 0.53
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
GLO1 Q04760 1/20 0.53
HPGD P15428 1/20 0.51
BDKRB2 P30411 8/20 0.44
GSK3B P49841 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL7678784 0.88 PTGS2 (0.70) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL17489415 0.84 CXCL8 (0.51) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL17489426 0.84 CXCL8 (0.51) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL3812969 0.83 PTGS2 (0.76) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL7675618 0.82 CXCL8 (0.52) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL4602352 0.78 HPGD (0.54) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8733265 0.73 PTGS2 (0.68) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL7676979 0.73 PTGS2 (0.50) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL3821896 0.72 GSK3B (0.41) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL7675830 0.72 PTGS2 (0.49) CXCL8AKR1B1PTGS1PTGS2GLO1

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 CXCL8 657/4885AKR1B1 387/4885PTGS1 161/4885
US-20050159443-A1 Novel heteroaryl alkylamide derivatives useful as bradykinin receptor modulators BDKRB2, BDKRB1, MRGPRX1 CXCL8 657/4885AKR1B1 387/4885PTGS1 161/4885

“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.