SCHEMBL4600717

SCHEMBL4600717

CCc1ccn(C)c1CCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KEAP1 Q14145 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
PTGES O14684 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.35
EGFR P00533 1/20 0.35

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
SCHEMBL9700172 0.76 KDM4E (0.53) FFAR1NPSR1KEAP1ALDH1A1KDM4E
SCHEMBL7611074 0.67 NPSR1 (0.52) FFAR1NPSR1KEAP1L3MBTL1HDAC6
SCHEMBL878984 0.67 KEAP1 (0.56) FFAR1NPSR1KEAP1HDAC6MAPK1
SCHEMBL3670913 0.67 CMA1 (0.60) FFAR1NPSR1KEAP1HDAC6
SCHEMBL7477617 0.67 ALDH1A1 (0.47) FFAR1KEAP1L3MBTL1ALDH1A1KDM4E
SCHEMBL10377019 0.67 KEAP1 (0.46) FFAR1NPSR1KEAP1L3MBTL1LMNA
SCHEMBL27829688 0.66 KEAP1 (0.48) FFAR1NPSR1KEAP1ALDH1A1KDM4E
SCHEMBL27171347 0.66 NPSR1 (0.50) FFAR1NPSR1KEAP1L3MBTL1ALDH1A1
SCHEMBL9645804 0.65 ALDH1A1 (0.51) NPSR1KEAP1L3MBTL1ALDH1A1KDM4E
SCHEMBL1206896 0.65 FFAR1 (0.65) FFAR1KEAP1L3MBTL1ALDH1A1LMNA

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 FFAR1 224/4885NPSR1 167/4885KEAP1 455/4885
US-20050159443-A1 Novel heteroaryl alkylamide derivatives useful as bradykinin receptor modulators BDKRB2, BDKRB1, MRGPRX1 FFAR1 224/4885NPSR1 167/4885KEAP1 455/4885

“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.