SCHEMBL5406790

SCHEMBL5406790

OC1CCCN(c2cncc(Cl)c2)C1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 5/20 0.55
▸ CHRNA4 P43681 5/20 0.55
▸ CHRNA1 P02708 1/20 0.52
▸ CHRNA7 P36544 1/20 0.52
▸ CHRNB4 P30926 3/20 0.51
▸ CHRNA3 P32297 3/20 0.51
▸ MAPK13 O15264 1/20 0.41
▸ MAPK12 P53778 1/20 0.41
▸ MAPK11 Q15759 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ AR P10275 1/20 0.39
▸ CCR6 P51684 2/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ NOTUM Q6P988 1/20 0.38
▸ SMPD3 Q9NY59 2/20 0.38
▸ LRRK2 Q5S007 1/20 0.38
▸ DGAT2 Q96PD7 1/20 0.38
▸ ADAMTS5 Q9UNA0 1/20 0.37

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
SCHEMBL5404714 0.91 CHRNB4 (0.54) CHRNB2CHRNA4CHRNA1CHRNA7CHRNB4
SCHEMBL5412162 0.88 CHRNB2 (0.59) CHRNB2CHRNA4CHRNA1CHRNA7CHRNB4
SCHEMBL17796820 0.82 SMPD3 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CCR6
SCHEMBL17796769 0.82 SMPD3 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CCR6
SCHEMBL18013342 0.81 CHRNB2 (0.60) CHRNB2CHRNA4CHRNA1CHRNA7CHRNB4
SCHEMBL30165831 0.76 CHRNB2 (0.49) CHRNB2CHRNA4CHRNA1CHRNA7CHRNB4
SCHEMBL5591766 0.76 NOTUM (0.44) MAPK13MAPK12MAPK11MAPK14AR
SCHEMBL24746251 0.75 CHRNB2 (0.55) CHRNB2CHRNA4CHRNA1CHRNA7CHRNB4
SCHEMBL29505484 0.75 CHRNB2 (0.55) CHRNB2CHRNA4CHRNA1CHRNA7CHRNB4
SCHEMBL5408335 0.75 CHRNB2 (0.55) CHRNB2CHRNA4CHRNA1CHRNA7CHRNB4

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 13 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
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 1/4885CHRNA1 9/4885
US-20040242558-A1 Pyridylether derivatives, their preparation and use CHRNA4, CHRNA5, CHRM3 CHRNB2 18/4885CHRNA4 1/4885CHRNA1 9/4885

“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.

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