SCHEMBL805895

SCHEMBL805895

COC(=O)c1cc(C)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 17/20 0.64
PLA2G2A P14555 1/20 0.51
NPC1 O15118 1/20 0.50
CASP3 P42574 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
FPR2 P25090 3/20 0.49
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL14919880 0.87 SCN9A (0.64) SCN9AFPR2
SCHEMBL805896 0.86 SCN9A (0.66) SCN9AFPR2
SCHEMBL14920119 0.86 SCN9A (0.62) SCN9AFPR2
SCHEMBL10284484 0.85 SCN9A (0.60) SCN9APLA2G2AFPR2
SCHEMBL805914 0.84 SCN9A (0.61) SCN9APLA2G2AFPR2
SCHEMBL14921893 0.82 SCN9A (0.74) SCN9AFPR2
SCHEMBL22658101 0.82 SCN9A (0.45) SCN9APLA2G2AALDH1A1
SCHEMBL29408125 0.82 SCN9A (0.45) SCN9APLA2G2AALDH1A1
SCHEMBL805928 0.81 SCN9A (0.60) SCN9AFPR2
SCHEMBL10284283 0.81 KDM4C (0.56) SCN9APLA2G2ANPC1CASP3RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616441-B1 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2019-08-07 EP disclosed
US-9611222-B2 Pyridine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2017-04-04 US disclosed
US-20150259293-A1 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2015-09-17 US disclosed
US-20150259293-A1 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2015-09-17 US disclosed
US-9056832-B2 Pyridine compounds and the users thereof PURDUE PHARMA L.P. (US) 2015-06-16 US disclosed
US-9056832-B2 Pyridine compounds and the users thereof PURDUE PHARMA L.P. (US) 2015-06-16 US disclosed
US-20130303526-A1 Pyridine Compounds and the Uses Thereof PURDUE PHARMA L.P. (US) 2013-11-14 US disclosed
US-20130303526-A1 Pyridine Compounds and the Uses Thereof PURDUE PHARMA L.P. (US) 2013-11-14 US disclosed
WO-2012035421-A2 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (US) 2012-03-22 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 (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-20150259293-A1 PYRIDINE COMPOUNDS AND THE USES THEREOF TRPV1, CACNA1A, KCNA1 SCN9A 148/4885PLA2G2A 345/4885NPC1 1507/4885
US-20130303526-A1 Pyridine Compounds and the Uses Thereof TRPV1, CACNA1A, KCNA1 SCN9A 148/4885PLA2G2A 345/4885NPC1 1507/4885

“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.