SCHEMBL1663587

SCHEMBL1663587

Cc1cnc(Cn2c(C(C)C)nc3cc(O)ccc3c2=O)cn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.47
ESR1 P03372 3/20 0.39
ESR2 Q92731 2/20 0.38
PDE5A O76074 4/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
AKR1B1 P15121 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
USP1 O94782 1/20 0.34
GFER P55789 1/20 0.33
KMT2A Q03164 2/20 0.33
PARG Q86W56 1/20 0.33
MEN1 O00255 1/20 0.33
DPP4 P27487 1/20 0.33
CASR P41180 1/20 0.33

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
SCHEMBL1663625 0.77 TRPV1 (0.50) TRPV1ESR1ESR2HDAC1HDAC6
SCHEMBL1664148 0.77 TRPV1 (0.54) TRPV1ESR1ESR2PDE5AHDAC1
SCHEMBL1663421 0.77 TRPV1 (0.54) TRPV1ESR1ESR2PDE5AHDAC1
SCHEMBL1663833 0.76 TRPV1 (0.47) TRPV1HDAC1HDAC6TLR7KMT2A
SCHEMBL1663306 0.76 TRPV1 (0.51) TRPV1ESR1ESR2PDE5AHDAC1
SCHEMBL1663914 0.75 TRPV1 (0.50) TRPV1ESR1ESR2PDE5AHDAC1
SCHEMBL1663738 0.75 TRPV1 (0.65) TRPV1ESR1ESR2AKR1B1KMT2A
SCHEMBL1666082 0.75 TRPV1 (0.47) TRPV1ESR1ESR2HDAC1HDAC6
SCHEMBL1663099 0.75 TRPV1 (0.47) TRPV1ESR1ESR2HDAC1HDAC6
SCHEMBL1663990 0.75 TRPV1 (0.47) TRPV1ESR1ESR2HDAC1HDAC6

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 1/4885ESR1 1321/4885ESR2 2159/4885

“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.