SCHEMBL1663457

SCHEMBL1663457

COCc1c(O)ccc2c(=O)n(-c3ccc(C)cc3)c(C(C)C)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 4/20 0.37
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
TP53 P04637 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 2/20 0.34
PDE10A Q9Y233 2/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CXCR3 P49682 1/20 0.34

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
SCHEMBL1663358 0.92 ESR1 (0.40) ESR1ESR2TRPV1RAB9ASMN1; SMN2
SCHEMBL1664438 0.87 RAB9A (0.43) ESR1ESR2TRPV1RAB9ASMN1; SMN2
SCHEMBL15957770 0.87 RAB9A (0.43) ESR1ESR2TRPV1RAB9ASMN1; SMN2
SCHEMBL11931959 0.87 TRPV1 (0.47) ESR1ESR2TRPV1RAB9ASMN1; SMN2
SCHEMBL1663563 0.87 TRPV1 (0.60) ESR1ESR2TRPV1KCNH2HRH3
SCHEMBL15957757 0.85 RAB9A (0.42) ESR1ESR2TRPV1RAB9ASMN1; SMN2
SCHEMBL15957768 0.82 RAB9A (0.45) ESR1ESR2TRPV1RAB9ASMN1; SMN2
SCHEMBL15957767 0.80 RAB9A (0.45) ESR1ESR2TRPV1RAB9ASMN1; SMN2
SCHEMBL15957771 0.80 RAB9A (0.45) ESR1ESR2TRPV1RAB9ASMN1; SMN2
SCHEMBL15957763 0.80 RAB9A (0.41) ESR1ESR2TRPV1RAB9ASMN1; SMN2

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 4 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
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 ESR1 1321/4885ESR2 2159/4885TRPV1 1/4885

“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.