SCHEMBL4256775

SCHEMBL4256775

O=C(O)C1=CCN(c2ncccc2[N+](=O)[O-])CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
CYP1A2 P05177 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 1/20 0.58
MAPT P10636 3/20 0.54
ALDH1A1 P00352 3/20 0.54
GRM5 P41594 5/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPK1 P28482 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
HSD11B1 P28845 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL4263851 0.84 GRM5 (0.64) LMNACYP1A2CYP2C9CYP2C19MAPT
SCHEMBL3675956 0.82 LMNA (0.52) LMNACYP1A2CYP2C9CYP2C19MAPT
SCHEMBL4256779 0.81 TRPV1 (0.39) LMNACYP1A2CYP2C9CYP2C19TRPV1
SCHEMBL1253664 0.80 TRPV1 (0.67) TRPV1
SCHEMBL2841920 0.80 TRPV1 (0.61) TRPV1
SCHEMBL8298026 0.79 TRPV1 (0.73) TRPV1
SCHEMBL8299450 0.79 TRPV1 (0.75) TRPV1
SCHEMBL781659 0.77 CYP1A2 (0.87) LMNACYP1A2CYP2C9CYP2C19MAPT
SCHEMBL1250889 0.77 TRPV1 (0.68) TRPV1HSD11B1
SCHEMBL135679 0.76 LMNA (1.00) LMNACYP1A2CYP2C9CYP2C19MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680118-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2014-03-25 US disclosed
US-8680118-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2014-03-25 US disclosed
US-8518916-B2 Heterocyclic derivatives as M-GLU5 antagonists RECORDATI IRELAND LIMITED (IE) 2013-08-27 US disclosed
US-20130012541-A1 Therapeutic Agents Useful for Treating Pain PURDUE PHARMA L.P. (US) 2013-01-10 US disclosed
US-20130012541-A1 Therapeutic Agents Useful for Treating Pain PURDUE PHARMA L.P. (US) 2013-01-10 US disclosed
US-8227467-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2012-07-24 US disclosed
US-8227467-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2012-07-24 US disclosed
US-20110152324-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA L.P. (US) 2011-06-23 US disclosed
US-20110152324-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA L.P. (US) 2011-06-23 US disclosed
CN-101821256-A Novel heterocyclic compounds as mGlu5 antagonists RECORDATI IRELAND LTD 2010-09-01 CN disclosed
US-7683063-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2010-03-23 US disclosed
US-7683063-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2010-03-23 US disclosed
EP-2060260-A1 Therapeutic agents useful for treating pain Euro-Celtique S.A. (LU) 2009-05-20 EP disclosed
US-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-12 US disclosed
EP-1862458-A2 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. (LU) 2007-12-05 EP disclosed
EP-1631285-B1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN EURO CELTIQUE SA (LU) 2007-08-08 EP disclosed
US-20070027159-A1 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. 2007-02-01 US disclosed
US-20070027159-A1 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. 2007-02-01 US disclosed
WO-2005004866-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN EURO-CELTIQUE, S.A. (LU) 2005-01-20 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 (4 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-20070027159-A1 Therapeutic agents useful for treating pain ARRB1, FPR1, OPRL1 LMNA 4683/4885CYP1A2 1476/4885CYP2C9 2902/4885
US-20130012541-A1 Therapeutic Agents Useful for Treating Pain ARRB1, FPR1, OPRL1 LMNA 4683/4885CYP1A2 1476/4885CYP2C9 2902/4885
US-20110152324-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN ARRB1, FPR1, OPRL1 LMNA 4683/4885CYP1A2 1476/4885CYP2C9 2902/4885
US-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS GRM5, GRIK5, GRM3 LMNA 3472/4885CYP1A2 3224/4885CYP2C9 1779/4885

“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.