SCHEMBL1858331

SCHEMBL1858331

COC(=O)n1ncc2c(NC(=O)ON3C(=O)CCC3=O)cccc21

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.41
MEN1 O00255 5/20 0.41
NPC1 O15118 11/20 0.40
RAB9A P51151 11/20 0.40
TRPV1 Q8NER1 7/20 0.35

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
SCHEMBL6442570 0.91 NPC1 (0.45) KMT2AMEN1NPC1RAB9ATRPV1
SCHEMBL287396 0.78 TRPV1 (0.48) KMT2AMEN1NPC1RAB9ATRPV1
SCHEMBL11949099 0.77 ALDH1A1 (0.46) KMT2AMEN1NPC1RAB9ATRPV1
SCHEMBL4401959 0.74 ALDH1A1 (0.54) KMT2AMEN1NPC1RAB9A
SCHEMBL2862830 0.73 NPC1 (0.49) KMT2AMEN1NPC1RAB9A
SCHEMBL1858337 0.72 NPC1 (0.36) KMT2AMEN1NPC1RAB9A
SCHEMBL4402082 0.71 ALDH1A1 (0.45) KMT2AMEN1NPC1RAB9ATRPV1
SCHEMBL4399516 0.71 HDAC1 (0.47) KMT2AMEN1NPC1RAB9ATRPV1
SCHEMBL23604249 0.71 NPC1 (0.55) KMT2AMEN1NPC1RAB9A
SCHEMBL5692763 0.71 NPC1 (0.45) KMT2AMEN1NPC1RAB9A

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815930-B2 Compounds that inhibit TRPV1 and uses thereof ABBVIE INC. (US) 2014-08-26 US disclosed
US-8802711-B2 TRPV1 antagonists ABBVIE INC. (US) 2014-08-12 US disclosed
EP-2688866-A1 TRPV1 ANTAGONISTS AbbVie Inc. (US) 2014-01-29 EP disclosed
US-8598220-B2 Antagonists of the vanilloid receptor subtype 1 (VR1) and uses thereof ABBVIE INC. (US) 2013-12-03 US disclosed
US-8487116-B2 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. (US) 2013-07-16 US disclosed
US-8487116-B2 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. (US) 2013-07-16 US disclosed
US-8487116-B2 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. (US) 2013-07-16 US disclosed
US-8440691-B2 Tetrahydroquinolinyl compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor and uses thereof ABBVIE INC. (US) 2013-05-14 US disclosed
EP-2527339-A1 Chromanylurea compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor and uses thereof Abbott Laboratories (US) 2012-11-28 EP disclosed
US-20120277190-A1 PRODRUGS OF COMPOUNDS THAT INHIBIT TRPV1 RECEPTOR ABBVIE INC. 2012-11-01 US disclosed
WO-2007050732-A1 INDAZOLE DERIVATIVES THAT INHIBIT TRPVl RECEPTOR ABBOTT LABORATORIES (US) 2007-05-03 WO disclosed
US-20060128689-A1 Chromanylurea compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor and uses thereof ABBVIE INC. 2006-06-15 US disclosed
EP-1660455-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2006-05-31 EP disclosed
EP-1658269-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR Abbott Laboratories (US) 2006-05-24 EP disclosed
US-6933311-B2 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2005-08-23 US disclosed
US-20050113576-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES 2005-05-26 US disclosed
WO-2005016890-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2005-02-24 WO disclosed
US-20050043351-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2005-02-24 US disclosed
WO-2004111009-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2004-12-23 WO disclosed
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2004-08-12 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 (5 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-20060128689-A1 Chromanylurea compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor and uses thereof CACNA1E, CACNA1D, CACNA1S KMT2A 2837/4885MEN1 2383/4885NPC1 370/4885
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, VIPR1, TMEM109 KMT2A 2965/4885MEN1 4465/4885NPC1 3985/4885
US-20050113576-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, TMEM109, VIPR1 KMT2A 3095/4885MEN1 4636/4885NPC1 4255/4885
US-20120277190-A1 PRODRUGS OF COMPOUNDS THAT INHIBIT TRPV1 RECEPTOR TRPV1, TRPV3, TRPA1 KMT2A 3454/4885MEN1 4502/4885NPC1 2255/4885
US-20050043351-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ARRB1, TRPV1, TRPV5 KMT2A 3199/4885MEN1 3281/4885NPC1 871/4885

“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.