SCHEMBL805966

SCHEMBL805966

N#Cc1cc(N2CCNCC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 17/20 0.69
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.55
GAA P10253 1/20 0.55
UBE2N P61088 1/20 0.55
ATM Q13315 1/20 0.50
HTR1A P08908 1/20 0.44
HTR7 P34969 1/20 0.44

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
SCHEMBL805869 0.84 SCN9A (0.68) SCN9AHTR1AHTR7
SCHEMBL21236848 0.84 SCN9A (0.71) SCN9A
SCHEMBL787594 0.82 SCN9A (1.00) SCN9A
SCHEMBL27905954 0.81 SCN9A (0.65) SCN9AHTR1AHTR7
SCHEMBL21236980 0.80 SCN9A (0.70) SCN9AHTR1AHTR7
SCHEMBL787049 0.79 SCN9A (1.00) SCN9A
SCHEMBL29421446 0.79 SCN9A (1.00) SCN9A
SCHEMBL787231 0.78 SCN9A (1.00) SCN9A
SCHEMBL29421475 0.78 SCN9A (1.00) SCN9A
SCHEMBL805965 0.78 SCN9A (0.70) 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 5 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-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-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 148/4885KMT2A 778/4885KDM4E 1781/4885
US-20130303526-A1 Pyridine Compounds and the Uses Thereof TRPV1, CACNA1A, KCNA1 SCN9A 148/4885KMT2A 778/4885KDM4E 1781/4885

“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.