SCHEMBL1663306

SCHEMBL1663306

CC(C)c1nc2cc(O)ccc2c(=O)n1CC1CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.51
CNR2 P34972 2/20 0.48
CYP2D6 P10635 3/20 0.46
ESR1 P03372 3/20 0.41
ESR2 Q92731 2/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
ABCC1 P33527 1/20 0.38
CTSD P07339 1/20 0.37
AKR1B1 P15121 1/20 0.37
PDE5A O76074 3/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
CACNA2D1 P54289 1/20 0.36

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
SCHEMBL1663935 0.95 TRPV1 (0.49) TRPV1CNR2CYP2D6ESR1ESR2
SCHEMBL1664148 0.81 TRPV1 (0.54) TRPV1ESR1ESR2HDAC1HDAC6
SCHEMBL1663421 0.81 TRPV1 (0.54) TRPV1ESR1ESR2HDAC1HDAC6
SCHEMBL1663914 0.80 TRPV1 (0.50) TRPV1CYP2D6ESR1ESR2HDAC1
SCHEMBL1663609 0.78 TRPV1 (0.51) TRPV1ESR1ESR2HDAC1HDAC6
SCHEMBL1663283 0.77 TRPV1 (0.50) TRPV1ESR1ESR2HDAC1HDAC6
SCHEMBL1663625 0.77 TRPV1 (0.50) TRPV1ESR1ESR2HDAC1HDAC6
SCHEMBL1664215 0.77 TRPV1 (0.55) TRPV1ESR1ESR2ALDH1A1NPSR1
SCHEMBL1663587 0.76 TRPV1 (0.47) TRPV1ESR1ESR2HDAC1HDAC6
SCHEMBL5794688 0.76 CYP2D6 (0.57) CNR2CYP2D6ALDH1A1NPSR1PLA2G1B

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 3 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

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 1/4885CNR2 27/4885CYP2D6 916/4885

“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.