SCHEMBL847197

SCHEMBL847197

COC(=O)c1ccc2c(c1)CCN2C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
ATM Q13315 1/20 0.52
KDM4E B2RXH2 4/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
SRD5A1 P18405 3/20 0.48
SRD5A2 P31213 3/20 0.48
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK3 Q15120 1/20 0.47
PDK4 Q16654 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 3/20 0.46
HPGD P15428 1/20 0.46
OPRL1 P41146 1/20 0.45
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44

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
SCHEMBL845758 0.84 KDM4E (0.46) ALDH1A1SMN1; SMN2KDM4ERAB9ASRD5A2
Hydrochloric Acid SCHEMBL5123927 0.80 HTR2C (0.56) ALDH1A1SMN1; SMN2NPSR1ATMKDM4E
SCHEMBL22226922 0.79 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2NPSR1ATMKDM4E
SCHEMBL10079821 0.78 HTR1A (0.50) ALDH1A1SMN1; SMN2NPSR1ATMKDM4E
SCHEMBL10059982 0.78 XIAP (0.50) ALDH1A1SMN1; SMN2NPSR1ATMKDM4E
SCHEMBL22938886 0.78 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2NPSR1ATMKDM4E
SCHEMBL847119 0.77 TTR (0.44) ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL847120 0.77 TTR (0.44) ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL845574 0.77 HRH3 (0.44) ALDH1A1RAB9ANPC1MAPTTP53
SCHEMBL21792031 0.76 KDM4E (0.56) ALDH1A1SMN1; SMN2NPSR1KDM4ERAB9A

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 ALDH1A1 1216/4885SMN1; SMN2 4426/4885NPSR1 180/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 ALDH1A1 1216/4885SMN1; SMN2 4426/4885NPSR1 180/4885

“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.