SCHEMBL847349

SCHEMBL847349

O=C(O)CCc1ccc(N2CCCCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.64
ITGA2B P08514 1/20 0.64
SMN1; SMN2 Q16637 4/20 0.61
NPC1 O15118 3/20 0.61
MAPT P10636 2/20 0.61
ALDH1A1 P00352 2/20 0.59
TP53 P04637 2/20 0.59
KDM4E B2RXH2 1/20 0.59
GAA P10253 2/20 0.54
HSD17B10 Q99714 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
L3MBTL3 Q96JM7 1/20 0.52
FFAR1 O14842 3/20 0.52
FFAR4 Q5NUL3 2/20 0.50
KEAP1 Q14145 1/20 0.50
CNR1 P21554 1/20 0.49
SLC13A5 Q86YT5 1/20 0.49
LMNA P02545 2/20 0.49
RAB9A P51151 2/20 0.49

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
SCHEMBL10695749 0.98 ITGB3 (0.66) ITGB3ITGA2BSMN1; SMN2NPC1MAPT
SCHEMBL21509226 0.89 FFAR4 (0.61) ITGB3ITGA2BSMN1; SMN2NPC1MAPT
SCHEMBL6625042 0.88 HSD17B10 (0.60) ITGB3ITGA2BSMN1; SMN2NPC1MAPT
SCHEMBL21509283 0.87 FFAR4 (0.62) ITGB3ITGA2BSMN1; SMN2NPC1MAPT
SCHEMBL7530628 0.85 LMNA (0.62) ITGB3ITGA2BSMN1; SMN2MAPTGAA
SCHEMBL846749 0.85 SMN1; SMN2 (0.56) ITGB3ITGA2BSMN1; SMN2NPC1MAPT
SCHEMBL2302994 0.83 ITGB3 (0.61) ITGB3ITGA2BMAPTALDH1A1KDM4E
SCHEMBL10897475 0.83 MEN1 (0.68) ITGB3ITGA2BSMN1; SMN2MAPTALDH1A1
SCHEMBL13855699 0.82 ITGB3 (0.62) ITGB3ITGA2BSMN1; SMN2NPC1MAPT
SCHEMBL2282564 0.82 ITGB3 (0.62) ITGB3ITGA2BSMN1; SMN2NPC1MAPT

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 12 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
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
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 ITGB3 2341/4885ITGA2B 2730/4885SMN1; SMN2 4426/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 ITGB3 2341/4885ITGA2B 2730/4885SMN1; SMN2 4426/4885

“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.