SCHEMBL5405408

SCHEMBL5405408

O=C1CCN(c2cccnc2)C1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.50
CHRNA4 P43681 6/20 0.50
PIK3CG P48736 1/20 0.47
CYP11B2 P19099 1/20 0.45
HTT P42858 1/20 0.45
CHRNA7 P36544 1/20 0.44
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43

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
SCHEMBL5408330 0.90 CHRNB2 (0.55) CHRNB2CHRNA4PIK3CGCYP11B2HTT
SCHEMBL5729484 0.89 CHRNB2 (0.57) CHRNB2CHRNA4HTTCHRNA7CHRNB4
SCHEMBL5416033 0.85 CHRNB2 (0.51) CHRNB2CHRNA4CYP11B2HTTCHRNA7
SCHEMBL5405224 0.83 CHRNB2 (0.59) CHRNB2CHRNA4CYP11B2HTTCHRNA7
SCHEMBL26950690 0.78 CHRNB2 (0.37) CHRNB2CHRNA4CYP11B2CHRNB4CHRNA3
SCHEMBL1953072 0.77 MEN1 (0.45) CHRNB2CHRNA4CHRNA7CHRNA3
SCHEMBL9252558 0.74 CYP11B2 (0.50) CHRNB2CHRNA4CYP11B2HTT
SCHEMBL11544331 0.74 CHRNB2 (0.76) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL161236 0.74 CHRNB2 (0.76) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL29959593 0.74 CHRNB2 (0.76) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161614-A1 Pyridylether derivatives, their preparation and use PETERS DAN 2007-07-12 US claimed
EP-1357121-A1 Azaring-ether deritatives and their use as nicotinic ach receptor modulators NEUROSEARCH A/S (DK) 2003-10-29 EP claimed
EP-1034174-B1 AZARING-ETHER DERIVATIVES AND THEIR USE AS NICOTINIC ACH RECEPTOR MODULATORS NEUROSEARCH AS (DK) 2003-08-13 EP claimed
EP-1034174-A1 AZARING-ETHER DERIVATIVES AND THEIR USE AS NICOTINIC ACH RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2000-09-13 EP claimed
WO-1999024422-A1 AZARING-ETHER DERIVATIVES AND THEIR USE AS NICOTINIC ACH RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 1999-05-20 WO claimed
CN-107001358-A Adjust the new pyridine hepyramine compound of istone lysine demethylase (KDM) catalytic activity 东亚ST株式会社 2017-08-01 CN disclosed
US-20070161614-A1 Pyridylether derivatives, their preparation and use PETERS DAN 2007-07-12 US disclosed
US-7202237-B2 Pyridylether derivatives, their preparation and use NEUROSEARCH A/S (DK) 2007-04-10 US disclosed
US-20040242558-A1 Pyridylether derivatives, their preparation and use NEUROSEARCH A/S 2004-12-02 US disclosed
US-6756386-B1 SUCH AS 1-METHYL-3-OXY-(5-CHLORO-3-PYRIDYL)-PIPERIDINE; CHOLINERGIC SYSTEM OF CENTRAL NERVOUS SYSTEM; PAIN, INFLAMMATION NEUROSEARCH A/S (DK) 2004-06-29 US disclosed
EP-1357121-A1 Azaring-ether deritatives and their use as nicotinic ach receptor modulators NEUROSEARCH A/S (DK) 2003-10-29 EP disclosed
EP-1034174-B1 AZARING-ETHER DERIVATIVES AND THEIR USE AS NICOTINIC ACH RECEPTOR MODULATORS NEUROSEARCH AS (DK) 2003-08-13 EP disclosed
EP-1034174-A1 AZARING-ETHER DERIVATIVES AND THEIR USE AS NICOTINIC ACH RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2000-09-13 EP disclosed
WO-1999024422-A1 AZARING-ETHER DERIVATIVES AND THEIR USE AS NICOTINIC ACH RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 1999-05-20 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-20070161614-A1 Pyridylether derivatives, their preparation and use CHRNA4, CHRNA5, CHRM3 CHRNB2 18/4885CHRNA4 1/4885PIK3CG 1003/4885
US-20040242558-A1 Pyridylether derivatives, their preparation and use CHRNA4, CHRNA5, CHRM3 CHRNB2 18/4885CHRNA4 1/4885PIK3CG 1003/4885

“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.