SCHEMBL1663358

SCHEMBL1663358

COCCOCc1c(O)ccc2c(=O)n(-c3ccc(C)cc3)c(C(C)C)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
RAB9A P51151 2/20 0.39
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 5/20 0.34
POLB P06746 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 3/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.32
CXCR3 P49682 1/20 0.32

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
SCHEMBL1663457 0.92 ESR1 (0.43) ESR1ESR2TRPV1RAB9AKCNH2
SCHEMBL15957770 0.84 RAB9A (0.43) ESR1ESR2TRPV1RAB9AKCNH2
SCHEMBL1664438 0.84 RAB9A (0.43) ESR1ESR2TRPV1RAB9AKCNH2
SCHEMBL15957757 0.82 RAB9A (0.42) ESR1ESR2TRPV1RAB9AKCNH2
SCHEMBL1663563 0.80 TRPV1 (0.60) ESR1ESR2TRPV1KCNH2HRH3
SCHEMBL11931959 0.80 TRPV1 (0.47) ESR1ESR2TRPV1RAB9AKCNH2
SCHEMBL15957768 0.79 RAB9A (0.45) ESR1ESR2TRPV1RAB9AKCNH2
SCHEMBL15957767 0.77 RAB9A (0.45) ESR1ESR2TRPV1RAB9AKCNH2
SCHEMBL15957771 0.77 RAB9A (0.45) ESR1ESR2TRPV1RAB9AKCNH2
SCHEMBL15957763 0.77 RAB9A (0.41) ESR1ESR2TRPV1RAB9AKCNH2

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.