SCHEMBL846128

SCHEMBL846128

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
LMNA P02545 2/20 0.57
GMNN O75496 1/20 0.57
CYP2D6 P10635 1/20 0.57
MAPT P10636 1/20 0.57
GABRA1 P14867 1/20 0.57
TSHR P16473 1/20 0.57
NFKB1 P19838 1/20 0.57
THPO P40225 1/20 0.57
GABRA2 P47869 1/20 0.57
GABRB2 P47870 1/20 0.57
PMP22 Q01453 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HIF1A Q16665 1/20 0.57
SLCO1B3 Q9NPD5 1/20 0.57
FFAR1 O14842 2/20 0.52
FFAR4 Q5NUL3 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.49
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL9102354 0.86 ALDH1A1 (0.60) ALDH1A1LMNAGMNNCYP2D6MAPT
SCHEMBL11239776 0.85 FFAR1 (0.53) ALDH1A1LMNAFFAR1FFAR4L3MBTL1
SCHEMBL9124012 0.85 ALDH1A1 (0.62) ALDH1A1LMNAGMNNCYP2D6MAPT
SCHEMBL14496299 0.83 ALDH1A1 (0.60) ALDH1A1L3MBTL1HPGDHSD17B10CNR2
SCHEMBL846137 0.82 CYP4F2 (0.57) ALDH1A1LMNAGMNNCYP2D6MAPT
SCHEMBL6285855 0.81 ALDH1A1 (0.72) ALDH1A1LMNAMAPTFFAR1FFAR4
SCHEMBL11495859 0.81 NPC1 (0.51) ALDH1A1TSHRFFAR1FFAR4HSD17B10
Chlorambucil SCHEMBL28694332 0.80 ALDH1A1 (0.82) ALDH1A1LMNAGMNNCYP2D6MAPT
SCHEMBL7625204 0.80 THRA (0.60) FFAR1FFAR4S1PR1
SCHEMBL25466693 0.80 KCNH2 (0.56) ALDH1A1LMNAHIF1AHSD17B10

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 11 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-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 ALDH1A1 1216/4885LMNA 4359/4885GMNN 2685/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 ALDH1A1 1216/4885LMNA 4359/4885GMNN 2685/4885

“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.