SCHEMBL805982

SCHEMBL805982

N#Cc1cc(Cl)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 12/20 0.64
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 4/20 0.55
HPGD P15428 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPT P10636 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
LMNA P02545 1/20 0.51
ADRB2 P07550 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
SQOR Q9Y6N5 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
SCHEMBL26659404 0.93 SCN9A (0.53) SCN9AKDM4EALDH1A1HPGDMEN1
SCHEMBL787633 0.82 SCN9A (0.60) SCN9AKDM4EALDH1A1HPGDMEN1
SCHEMBL805985 0.80 SCN9A (0.60) SCN9AKDM4EALDH1A1HPGDMEN1
SCHEMBL805915 0.80 SCN9A (0.67) SCN9AKDM4EALDH1A1HPGDMEN1
SCHEMBL15383836 0.80 SCN9A (0.60) SCN9AKDM4EALDH1A1HPGDMEN1
SCHEMBL9953278 0.79 SCN9A (0.61) SCN9AKDM4EALDH1A1HPGDMEN1
SCHEMBL3143887 0.79 SCN9A (0.61) SCN9AKDM4EALDH1A1HPGDMEN1
SCHEMBL10284142 0.79 SCN9A (0.61) SCN9AKDM4EALDH1A1HPGDMEN1
SCHEMBL10284141 0.79 SCN9A (0.56) SCN9AKDM4EALDH1A1HPGDMEN1
SCHEMBL17082883 0.78 SCN9A (0.56) SCN9AKDM4EALDH1A1HPGDMEN1

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 148/4885KDM4E 1781/4885ALDH1A1 172/4885
US-20130303526-A1 Pyridine Compounds and the Uses Thereof TRPV1, CACNA1A, KCNA1 SCN9A 148/4885KDM4E 1781/4885ALDH1A1 172/4885

“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.