Sugi Predict

Sugi Predict / Compounds / SCHEMBL1663818

SCHEMBL1663818

SCHEMBL1663818

CCN(CC)c1nc2cc(O)ccc2c(=O)n1-c1ccc(C#N)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.64
▸ ESR1 P03372 4/20 0.50
▸ PDE10A Q9Y233 1/20 0.45
▸ CXCR3 P49682 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ ESR2 Q92731 4/20 0.41
▸ TDP2 O95551 6/20 0.40
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ ALDH1A1 P00352 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
SCHEMBL1663513 0.86 PDE10A (0.48) TRPV1ESR1PDE10ACXCR3KMT2A
SCHEMBL1663008 0.85 ESR1 (0.53) TRPV1ESR1PDE10AKMT2AESR2
Alcohol SCHEMBL26655335 0.79 TRPV1 (0.91) TRPV1ESR1PDE10ACXCR3KMT2A
SCHEMBL29383546 0.78 TRPV1 (1.00) TRPV1ESR1PDE10ACXCR3KMT2A
SCHEMBL1066896 0.78 TRPV1 (1.00) TRPV1ESR1PDE10ACXCR3KMT2A
SCHEMBL10446409 0.75 ESR1 (0.49) TRPV1ESR1PDE10AKMT2AESR2
SCHEMBL4512058 0.72 TRPV1 (0.49) TRPV1ESR1PDE10AKMT2AESR2
SCHEMBL1663635 0.71 PDE10A (0.52) PDE10AKMT2ALMNAMEN1ALDH1A1
SCHEMBL15957753 0.69 ESR1 (0.63) TRPV1ESR1PDE10AKMT2AESR2
SCHEMBL6026486 0.67 TRPV1 (0.56) TRPV1ESR1PDE10ACXCR3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2305652-A2 Trisubstituted quinazolinone derivatives as vanilloid antagonists Novartis AG (CH) 2011-04-06 — — EP disclosed
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists NOVARTIS AG 2009-03-26 — — US disclosed
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists NOVARTIS AG 2009-03-26 — — US disclosed
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists NOVARTIS AG 2009-03-26 — — US disclosed
CN-101356160-A Trisubstituted quinazolinone derivatives as vanilloid antagonists JANSSEN PHARMACEUTICA NV (CH) 2009-01-28 — — CN disclosed
EP-1963283-A2 TRISUBSTITUTED QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS Novartis AG (CH) 2008-09-03 — — EP disclosed
WO-2007065662-A2 TRISUBSTITUTED QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2007-06-14 — — WO disclosed
WO-2007065662-A2 TRISUBSTITUTED QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2007-06-14 — — 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-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists TRPV1, TRPV3, TRPV5 TRPV1 1/4885ESR1 1321/4885PDE10A 1942/4885

“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.