SCHEMBL1663627

SCHEMBL1663627

CC(C)c1nc2cc(O)ccc2c(=O)n1C1CCN(C)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.49
JAK1 P23458 7/20 0.41
ESR1 P03372 3/20 0.40
ESR2 Q92731 2/20 0.40
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
JAK2 O60674 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
PIK3CD O00329 2/20 0.36
AKR1B1 P15121 1/20 0.36
PDE5A O76074 1/20 0.35
GAA P10253 2/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 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
SCHEMBL1664215 0.89 TRPV1 (0.55) TRPV1JAK1ESR1ESR2CCNT1
SCHEMBL1666090 0.88 TRPV1 (0.54) TRPV1JAK1ESR1ESR2CCNT1
SCHEMBL1663306 0.74 TRPV1 (0.51) TRPV1ESR1ESR2AKR1B1PDE5A
SCHEMBL1663631 0.73 TRPV1 (0.58) TRPV1ESR1ESR2AKR1B1PDE5A
SCHEMBL26775767 0.73 CYP2C9 (0.41) JAK1ESR1JAK2TYK2JAK3
SCHEMBL1663935 0.72 TRPV1 (0.49) TRPV1ESR1ESR2AKR1B1PDE5A
SCHEMBL1663779 0.72 TRPV1 (0.42) TRPV1JAK1ESR1ESR2GAA
SCHEMBL1663421 0.72 TRPV1 (0.54) TRPV1ESR1ESR2AKR1B1PDE5A
SCHEMBL1664148 0.72 TRPV1 (0.54) TRPV1ESR1ESR2AKR1B1PDE5A
SCHEMBL1663914 0.71 TRPV1 (0.50) TRPV1ESR1ESR2AKR1B1PDE5A

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 5 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
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

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 1/4885JAK1 1657/4885ESR1 1321/4885

“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.