SCHEMBL10251448

SCHEMBL10251448

O=C(c1cccc(Br)n1)N1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.50
GNE Q9Y223 1/20 0.50
LANCL2 Q9NS86 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
HRH4 Q9H3N8 3/20 0.44
HRH3 Q9Y5N1 1/20 0.44
PARP1 P09874 1/20 0.44
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
SCN7A Q01118 4/20 0.42
KCNH2 Q12809 4/20 0.42
SCN9A Q15858 4/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42

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
SCHEMBL7245767 0.89 GNE (0.62) SIGMAR1GNELANCL2RXFP1HRH4
Hydrochloric Acid SCHEMBL7252859 0.87 GNE (0.60) SIGMAR1GNELANCL2RXFP1HRH4
Tert-Butyl Formate SCHEMBL27815221 0.86 SCN9A (0.42) SIGMAR1GNELANCL2HRH4SCN7A
SCHEMBL5237 0.85 GNE (0.68) GNEUSP2MAPK1SMN1; SMN2L3MBTL1
SCHEMBL2532948 0.84 GNE (0.66) GNEUSP2MAPK1SMN1; SMN2L3MBTL1
SCHEMBL1579475 0.83 GNE (0.55) GNELANCL2USP2MAPK1SMN1; SMN2
SCHEMBL3086677 0.81 HRH4 (0.50) SIGMAR1GNELANCL2RXFP1HRH4
SCHEMBL1554586 0.81 RAB9A (0.50) GNEMAPK1SMN1; SMN2
SCHEMBL21802051 0.81 SIGMAR1 (0.50) SIGMAR1GNELANCL2RXFP1HRH4
SCHEMBL30911660 0.81 RAB9A (0.50) GNEMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765029-B2 Pyridine compounds as sodium channel blockers PURDUE PHARMA L.P. (US) 2017-09-19 US disclosed
US-9765029-B2 Pyridine compounds as sodium channel blockers PURDUE PHARMA L.P. (US) 2017-09-19 US disclosed
US-20150344465-A1 PYRIDINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2015-12-03 US disclosed
US-20150344465-A1 PYRIDINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2015-12-03 US disclosed
US-9120752-B2 Pyridine compounds as sodium channel blockers PURDUE PHARMA, L.P. (US) 2015-09-01 US disclosed
US-9120752-B2 Pyridine compounds as sodium channel blockers PURDUE PHARMA, L.P. (US) 2015-09-01 US disclosed
WO-2012007836-A1 PYRIDINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA .LP. (US) 2012-01-19 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 (1 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-20150344465-A1 PYRIDINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS SCN1B, CACNA1A, SCN1A SIGMAR1 252/4885GNE 3733/4885LANCL2 4573/4885

“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.