SCHEMBL846784

SCHEMBL846784

CCC(C)c1ccc(CCC(=O)Nc2cnc3ccccc3c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
TRPV1 Q8NER1 6/20 0.58
HDAC1 Q13547 7/20 0.57
HDAC2 Q92769 7/20 0.57
HDAC6 Q9UBN7 7/20 0.57
HDAC3 O15379 6/20 0.57
HDAC10 Q969S8 6/20 0.57
HDAC4 P56524 5/20 0.57
HDAC7 Q8WUI4 5/20 0.57
HDAC11 Q96DB2 5/20 0.57
HDAC8 Q9BY41 5/20 0.57
HDAC9 Q9UKV0 5/20 0.57
HDAC5 Q9UQL6 5/20 0.57
RAB9A P51151 2/20 0.52
POLB P06746 2/20 0.52
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
NOTUM Q6P988 1/20 0.52

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
SCHEMBL846167 0.91 TRPV1 (0.59) MEN1KMT2ATRPV1HDAC1HDAC2
SCHEMBL6384530 0.86 TRPV1 (0.58) MEN1KMT2ATRPV1HDAC1HDAC2
SCHEMBL1577038 0.85 TRPV1 (0.76) MEN1KMT2ATRPV1HDAC1HDAC2
SCHEMBL13991505 0.85 MEN1 (0.67) MEN1KMT2ATRPV1HDAC1HDAC2
SCHEMBL13991492 0.85 HDAC1 (0.72) MEN1KMT2ATRPV1HDAC1HDAC2
SCHEMBL846452 0.85 HDAC1 (0.57) MEN1KMT2ATRPV1HDAC1HDAC2
SCHEMBL846333 0.84 TRPV1 (0.74) MEN1KMT2ATRPV1HDAC1HDAC2
SCHEMBL846837 0.82 TRPV1 (0.56) MEN1KMT2ATRPV1HDAC1HDAC2
SCHEMBL846968 0.82 TRPV1 (0.67) MEN1KMT2ATRPV1HDAC1HDAC2
SCHEMBL846540 0.82 NPC1 (0.70) TRPV1RAB9AKDM4E

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 MEN1 4610/4885KMT2A 2415/4885TRPV1 1/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 MEN1 4610/4885KMT2A 2415/4885TRPV1 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.