SCHEMBL805959

SCHEMBL805959

CCOC(=O)C1CCN(c2cc(C#N)nc(-c3ccc(Oc4ccc(F)cc4)cc3)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.61
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
TSHR P16473 3/20 0.48
HSD17B10 Q99714 3/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TP53 P04637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
DPP4 P27487 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
SCHEMBL805955 0.86 SCN9A (0.78) SCN9ADPP4
SCHEMBL15578145 0.78 LGMN (0.53) SCN9AKDM4EALDH1A1TSHRHSD17B10
SCHEMBL6503652 0.78 CCR8 (0.59) KDM4EALDH1A1TSHRHSD17B10MAPT
SCHEMBL805966 0.77 SCN9A (0.69) SCN9AKDM4EALDH1A1GAAKMT2A
SCHEMBL805965 0.76 SCN9A (0.70) SCN9A
SCHEMBL787594 0.76 SCN9A (1.00) SCN9A
SCHEMBL787301 0.76 SCN9A (1.00) SCN9A
SCHEMBL29421431 0.76 SCN9A (1.00) SCN9A
SCHEMBL1749330 0.74 MAPT (0.68) KDM4EALDH1A1TSHRMAPTHPGD
SCHEMBL21236848 0.74 SCN9A (0.71) SCN9A

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.