SCHEMBL846963

SCHEMBL846963

CC(C)(C)c1ccc(C2CC2C(=O)Nc2cnc3ccccc3c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.64
SMN1; SMN2 Q16637 5/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55
CYP2C19 P33261 1/20 0.55
KDR P35968 1/20 0.49
RAB9A P51151 7/20 0.48
NPC1 O15118 5/20 0.48
KDM4E B2RXH2 4/20 0.48
MITF O75030 1/20 0.48
XBP1 P17861 1/20 0.48
PAX8 Q06710 1/20 0.48
KLF5 Q13887 1/20 0.48
MAPT P10636 2/20 0.47
CNR1 P21554 2/20 0.47
CNR2 P34972 2/20 0.47
POLB P06746 2/20 0.46
ALDH1A1 P00352 2/20 0.46

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
SCHEMBL846872 0.88 SMN1; SMN2 (0.59) SMN1; SMN2KDRRAB9ANPC1KDM4E
SCHEMBL846873 0.88 SMN1; SMN2 (0.59) SMN1; SMN2KDRRAB9ANPC1KDM4E
SCHEMBL846516 0.80 TRPV1 (0.65) TRPV1SMN1; SMN2KDRRAB9ANPC1
SCHEMBL846396 0.78 TRPV1 (1.00) TRPV1SMN1; SMN2KDRRAB9ANPC1
SCHEMBL15944973 0.75 LPAR2 (0.67) TRPV1SMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL846474 0.74 TRPV1 (0.70) TRPV1SMN1; SMN2KDRRAB9ANPC1
SCHEMBL2777948 0.73 SLC6A4 (0.51) SMN1; SMN2CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL845783 0.73 GLA (0.64) TRPV1SMN1; SMN2KDRRAB9ANPC1
SCHEMBL846062 0.73 TRPV1 (0.67) TRPV1SMN1; SMN2HPGDKDRRAB9A
SCHEMBL846063 0.73 TRPV1 (0.67) TRPV1SMN1; SMN2HPGDKDRRAB9A

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 13 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
EP-1603883-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2005-12-14 EP claimed
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-30 US claimed
WO-2004069792-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (US) 2004-08-19 WO 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 TRPV1 1/4885SMN1; SMN2 4426/4885CYP1A2 905/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 TRPV1 1/4885SMN1; SMN2 4426/4885CYP1A2 905/4885

“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.