SCHEMBL1333048

SCHEMBL1333048

[CH2]C(C)(C)c1ncccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.49
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
PAX8 Q06710 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
MET P08581 1/20 0.42
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL17806134 0.80 PDE10A (0.46) PDE10AALDH1A1POLBL3MBTL1PAX8
SCHEMBL2012766 0.79 ALDH1A1 (0.47) PDE10AALDH1A1POLBL3MBTL1PAX8
SCHEMBL29133299 0.79 POLB (0.47) PDE10AALDH1A1POLBL3MBTL1PAX8
SCHEMBL8564975 0.79 PDE10A (0.51) PDE10AALDH1A1POLBL3MBTL1PAX8
SCHEMBL10651130 0.76 ALDH1A1 (0.45) PDE10AALDH1A1POLBL3MBTL1PAX8
SCHEMBL986085 0.75 MEN1 (0.52) PDE10AALDH1A1POLBL3MBTL1MEN1
SCHEMBL1092487 0.72 PDE10A (0.49) PDE10AALDH1A1POLBL3MBTL1PAX8
SCHEMBL1092129 0.72 PDE10A (0.49) PDE10AALDH1A1POLBL3MBTL1PAX8
SCHEMBL13402273 0.72 L3MBTL1 (0.58) PDE10AALDH1A1POLBL3MBTL1PAX8
SCHEMBL1092131 0.72 PDE10A (0.49) PDE10AALDH1A1POLBL3MBTL1PAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281885-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA L.P. (US) 2011-11-17 US disclosed
US-7799786-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2010-09-21 US disclosed
US-20080153835-A1 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. 2008-06-26 US disclosed
EP-1556354-B1 THERAPEUTIC PIPERAZINE DERIVATES USEFUL FOR TREATING PAIN EURO CELTIQUE SA (LU) 2008-01-23 EP disclosed
US-7279493-B2 cyanoiminopiperazines which inhibit vanilloid receptor 1 function in a cell EURO-CELTIQUE S.A. 2007-10-09 US disclosed
EP-1810970-A1 Therapeutic piperazine compounds EURO-CELTIQUE S.A. (LU) 2007-07-25 EP 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 (2 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-20080153835-A1 Therapeutic agents useful for treating pain CHRM2, CHRM1, MC1R PDE10A 1370/4885ALDH1A1 1472/4885POLB 3153/4885
US-20110281885-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN CHRM2, CHRM1, MC1R PDE10A 1370/4885ALDH1A1 1472/4885POLB 3153/4885

“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.