SCHEMBL846137

SCHEMBL846137

CCCCCN(CCCCC)c1ccc(CCC(=O)OCC)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.57
CYP4A11 Q02928 1/20 0.57
CYP4Z1 Q86W10 3/20 0.50
ALOX5 P09917 1/20 0.46
CYP4F11 Q9HBI6 1/20 0.45
CYP4F12 Q9HCS2 1/20 0.45
CNR2 P34972 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GMNN O75496 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
GABRA1 P14867 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
THPO P40225 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
PMP22 Q01453 1/20 0.43

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
SCHEMBL11226774 0.86 CYP4F2 (0.55) CYP4F2CYP4A11CYP4Z1ALOX5CYP4F11
SCHEMBL12780429 0.84 CYP4F2 (0.59) CYP4F2CYP4A11CYP4Z1ALOX5CYP4F11
SCHEMBL11233148 0.84 CYP4F2 (0.52) CYP4F2CYP4A11CYP4Z1ALOX5CYP4F11
SCHEMBL6288506 0.84 CYP4F2 (0.70) CYP4F2CYP4A11CYP4Z1ALOX5CYP4F11
SCHEMBL846128 0.82 ALDH1A1 (0.57) CNR2SMN1; SMN2GMNNALDH1A1LMNA
SCHEMBL6286441 0.82 CYP4F2 (0.72) CYP4F2CYP4A11CYP4Z1ALOX5CYP4F11
SCHEMBL5452821 0.81 CNR2 (0.49) CYP4Z1CNR2SMN1; SMN2ALDH1A1LMNA
SCHEMBL15264296 0.81 SMN1; SMN2 (0.56) CYP4F2CYP4A11ALOX5CNR2SMN1; SMN2
SCHEMBL9950834 0.81 CYP4F2 (0.57) CYP4F2CYP4A11CYP4Z1ALOX5CYP4F11
SCHEMBL9326861 0.81 SMN1; SMN2 (0.56) CYP4F2CYP4A11ALOX5CNR2SMN1; SMN2

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 10 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
US-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
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
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 CYP4F2 1543/4885CYP4A11 2259/4885CYP4Z1 3391/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 CYP4F2 1543/4885CYP4A11 2259/4885CYP4Z1 3391/4885

“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.