SCHEMBL846444

SCHEMBL846444

CN(c1ccc(C=CC(=O)O)cc1)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 6/20 0.52
ALDH1A1 P00352 4/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
HSD17B3 P37058 1/20 0.45
HCAR2 Q8TDS4 2/20 0.45
CA12 O43570 1/20 0.45
AKR1B10 O60218 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ESR1 P03372 1/20 0.45
CA3 P07451 1/20 0.45
PKM P14618 1/20 0.45
TYR P14679 1/20 0.45
AKR1B1 P15121 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
DPP4 P27487 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45

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
SCHEMBL879469 1.00 TRPM8 (0.52) TRPM8ALDH1A1LMNAMAPTHSD17B3
SCHEMBL846844 0.81 CA12 (0.55) TRPM8ALDH1A1LMNAMAPTCA12
SCHEMBL846846 0.81 CA12 (0.55) TRPM8ALDH1A1LMNAMAPTCA12
SCHEMBL11159774 0.77 CYP2A6 (0.55) TRPM8ALDH1A1TYRKDM4ESMN1; SMN2
SCHEMBL4485887 0.77 HRH4 (0.44) ALDH1A1KDM4EATMKMT2AMEN1
SCHEMBL11472934 0.76 LCK (0.52) ALDH1A1KDM4EATMSMN1; SMN2KMT2A
SCHEMBL13614093 0.76 RARB (0.45) TRPM8HCAR2CA12AKR1B10CA1
SCHEMBL381477 0.76 HSD17B3 (0.75) MAPTHSD17B3HCAR2CA12AKR1B10
SCHEMBL1124069 0.76 HSD17B3 (0.75) MAPTHSD17B3HCAR2CA12AKR1B10
SCHEMBL18692387 0.75 HSD17B3 (0.41) TRPM8ALDH1A1MAPTHSD17B3SMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4388459-A HYPOLIPIDEMIC, ANTIATHEROSCLEROTIC AMERICAN CYANAMID COMPANY (US) 1983-06-14 US claimed
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 TRPM8 29/4885ALDH1A1 1216/4885LMNA 4359/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 TRPM8 29/4885ALDH1A1 1216/4885LMNA 4359/4885

“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.