SCHEMBL5113494

SCHEMBL5113494

Cc1cccnc1-c1ccc2c(Nc3ccc(C(C)(C)C)cc3)nc(C(=O)O)nc2n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.46
ABCG2 Q9UNQ0 1/20 0.40
MDM2 Q00987 1/20 0.40
EPHX2 P34913 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
DHODH Q02127 1/20 0.38
KDR P35968 1/20 0.37
SYK P43405 1/20 0.37

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
SCHEMBL5108417 0.91 TRPV1 (0.55) TRPV1ABCG2MDM2EPHX2
SCHEMBL5102755 0.88 MAPT (0.47) TRPV1MEN1NPC1MAPTRAB9A
SCHEMBL5108400 0.88 TRPV1 (0.60) TRPV1
Hydrochloric Acid SCHEMBL5139394 0.87 MAPT (0.46) TRPV1MEN1NPC1MAPTRAB9A
SCHEMBL4917009 0.84 TRPV1 (0.48) TRPV1ABCG2EPHX2
SCHEMBL5113826 0.83 NPC1 (0.42) TRPV1MDM2MEN1NPC1LMNA
SCHEMBL810113 0.83 TRPV1 (0.44) TRPV1ABCG2EPHX2MEN1NPC1
SCHEMBL5115543 0.81 TRPV1 (0.69) TRPV1
SCHEMBL4976316 0.81 TRPV1 (0.44) TRPV1EPHX2NPC1MAPTRAB9A
SCHEMBL4915071 0.81 TRPV1 (0.51) TRPV1ABCG2EPHX2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432275-B2 Carboxylic acid, phosphate or phosphonate substituted quinazolin-4-ylamine analogues as capsaicin receptor modulators NEUROGEN CORPORATION (US) 2008-10-07 US disclosed
US-7432275-B2 Carboxylic acid, phosphate or phosphonate substituted quinazolin-4-ylamine analogues as capsaicin receptor modulators NEUROGEN CORPORATION (US) 2008-10-07 US disclosed
US-7432275-B2 Carboxylic acid, phosphate or phosphonate substituted quinazolin-4-ylamine analogues as capsaicin receptor modulators NEUROGEN CORPORATION (US) 2008-10-07 US disclosed
US-20060089354-A1 Carboxylic acid, phosphate or phosphonate substituted quinazolin-4-ylamine analogues as capsaicin receptor modulators NEUROGEN CORPORATION 2006-04-27 US disclosed
EP-1569926-A1 CARBOXYLIC ACID, PHOSPHATE OR PHOSPHONATE SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2005-09-07 EP disclosed
WO-2004055004-A1 CARBOXYLIC ACID, PHOSPHATE OR PHOSPHONATE SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2004-07-01 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 (1 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-20060089354-A1 Carboxylic acid, phosphate or phosphonate substituted quinazolin-4-ylamine analogues as capsaicin receptor modulators P2RX3, P2RY1, HCAR3 TRPV1 5/4885ABCG2 267/4885MDM2 4075/4885

“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.