SCHEMBL845803

SCHEMBL845803

CCCCCN1CCCc2cc(C(=O)O)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
CASP1 P29466 1/20 0.56
HTT P42858 1/20 0.56
CASP7 P55210 1/20 0.56
SMAD3 P84022 1/20 0.56
HSD17B10 Q99714 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ACHE P22303 2/20 0.52
RARB P10826 1/20 0.50
RARG P13631 1/20 0.50
MCL1 Q07820 2/20 0.46
KDM4C Q9H3R0 3/20 0.46
KDM4A O75164 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
SCHEMBL4934508 0.93 ACHE (0.58) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL846838 0.90 MAPT (0.51) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL847263 0.88 PDK1 (0.50) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL3350583 0.85 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL20178649 0.85 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL4929256 0.83 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL9159162 0.83 MAPT (0.51) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL9159164 0.83 MAPT (0.51) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL11879309 0.82 MEN1 (0.50) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL2759079 0.81 MAPT (0.62) ALDH1A1MEN1KMT2AKDM4ELMNA

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
US-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
EP-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP disclosed
EP-2308848-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor Janssen Pharmaceutica NV (BE) 2011-04-13 EP disclosed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 US disclosed
EP-1603883-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2005-12-14 EP disclosed
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-30 US disclosed
WO-2004069792-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (US) 2004-08-19 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-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor TRPV1, OPRL1, TRPV2 ALDH1A1 1216/4885MEN1 4610/4885KMT2A 2415/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 ALDH1A1 1216/4885MEN1 4610/4885KMT2A 2415/4885

“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.