SCHEMBL14501653

SCHEMBL14501653

COc1ccc(CN2C(=O)NC(C)(C)c3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.55
CMA1 P23946 1/20 0.51
OPRL1 P41146 1/20 0.50
MMP12 P39900 1/20 0.49
ADAMTS5 Q9UNA0 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
MAPT P10636 2/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.48
CASP3 P42574 1/20 0.48
HTT P42858 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.45
PIM1 P11309 1/20 0.45
BLM P54132 1/20 0.45

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
SCHEMBL9540132 0.85 SCN9A (0.54) SCN9ACMA1OPRL1MMP12ADAMTS5
SCHEMBL16109588 0.85 SCN9A (0.56) SCN9ACMA1MMP12ADAMTS5L3MBTL1
SCHEMBL9539012 0.84 OPRL1 (0.51) SCN9ACMA1OPRL1MMP12ADAMTS5
SCHEMBL17377477 0.81 SCN9A (0.63) SCN9ACMA1OPRL1MMP12ADAMTS5
SCHEMBL1773322 0.80 CMA1 (0.60) CMA1L3MBTL1GSK3AGSK3BMAPT
SCHEMBL25430199 0.80 SCN9A (0.65) SCN9ACMA1OPRL1MMP12ADAMTS5
SCHEMBL17416402 0.76 OPRL1 (0.70) SCN9ACMA1OPRL1MMP12ADAMTS5
SCHEMBL16812434 0.76 OPRL1 (0.60) SCN9ACMA1OPRL1MMP12ADAMTS5
SCHEMBL15973283 0.76 SCN9A (0.51) SCN9ACMA1MMP12ADAMTS5GSK3A
SCHEMBL8552517 0.76 SCN9A (0.54) SCN9ACMA1OPRL1MMP12ADAMTS5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214676-B2 Spirotricyclic derivatives and their use as phosphodiesterase-7 inhibitors WARNER-LAMBERT COMPANY LLC (US) 2007-05-08 US disclosed
US-20070049558-A1 New Spirotricyclic Derivatives and Their Use as Phosphodiesterase-7 Inhibitors PFIZER INC. 2007-03-01 US 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-20070049558-A1 New Spirotricyclic Derivatives and Their Use as Phosphodiesterase-7 Inhibitors PDE3A, PDE4A, PDE5A SCN9A 1450/4885CMA1 1667/4885OPRL1 3877/4885

“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.