SCHEMBL845783

SCHEMBL845783

CC(C)(C)C1CCC(C(=O)Nc2cnc3ccccc3c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.64
EPHX2 P34913 1/20 0.59
TRPV1 Q8NER1 4/20 0.58
RXRA P19793 1/20 0.56
RXRB P28702 1/20 0.56
RXRG P48443 1/20 0.56
KDM4E B2RXH2 4/20 0.54
RAB9A P51151 8/20 0.54
MAPT P10636 2/20 0.53
KDR P35968 1/20 0.52
NPC1 O15118 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
POLB P06746 2/20 0.52
JAK2 O60674 1/20 0.52
HSD17B10 Q99714 2/20 0.51
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51
MITF O75030 1/20 0.51
XBP1 P17861 1/20 0.51
PAX8 Q06710 1/20 0.51

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
SCHEMBL24211251 0.85 TRPV1 (0.57) EPHX2TRPV1KDM4ERAB9AMAPT
SCHEMBL10113220 0.83 EPHX2 (0.58) EPHX2TRPV1KDM4ERAB9AMAPT
SCHEMBL13203770 0.83 EPHX2 (0.58) EPHX2TRPV1KDM4ERAB9AMAPT
SCHEMBL847630 0.83 TRPV1 (0.53) EPHX2TRPV1KDM4ERAB9APOLB
SCHEMBL846245 0.82 TRPV1 (0.56) EPHX2TRPV1KDM4ERAB9AMAPT
SCHEMBL10114032 0.79 EPHX2 (0.55) EPHX2TRPV1KDM4ERAB9AMAPT
SCHEMBL29862953 0.79 EPHX2 (0.60) EPHX2TRPV1RXRARXRBRXRG
SCHEMBL29862940 0.79 EPHX2 (0.60) EPHX2TRPV1RXRARXRBRXRG
SCHEMBL28834223 0.79 EPHX2 (0.60) EPHX2TRPV1RXRARXRBRXRG
SCHEMBL28833970 0.79 EPHX2 (0.60) EPHX2TRPV1RXRARXRBRXRG

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 9 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 claimed
EP-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP claimed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 US claimed
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-30 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
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-30 US 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 GLA 4166/4885EPHX2 3722/4885TRPV1 1/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 GLA 4166/4885EPHX2 3722/4885TRPV1 1/4885

“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.