SCHEMBL5404714

SCHEMBL5404714

OC1CCN(c2cncc(Cl)c2)C1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRNB4 P30926 6/20 0.54
▸ CHRNA3 P32297 6/20 0.54
▸ CHRNB2 P17787 8/20 0.53
▸ CHRNA4 P43681 8/20 0.53
▸ CHRNA1 P02708 1/20 0.48
▸ CHRNA7 P36544 1/20 0.48
▸ AR P10275 1/20 0.47
▸ CCR6 P51684 2/20 0.45
▸ NOTUM Q6P988 1/20 0.43
▸ ABL1 P00519 2/20 0.41
▸ WDR91 A4D1P6 2/20 0.41

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
SCHEMBL5406790 0.91 CHRNB2 (0.55) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
SCHEMBL18013342 0.90 CHRNB2 (0.60) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
SCHEMBL5412162 0.84 CHRNB2 (0.59) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
SCHEMBL25852559 0.81 CHRNB2 (0.59) CHRNB4CHRNA3CHRNB2CHRNA4AR
SCHEMBL17796709 0.81 CCR6 (0.42) CHRNB4CHRNA3CHRNB2CHRNA4AR
SCHEMBL23707244 0.81 CCR6 (0.42) CHRNB4CHRNA3CHRNB2CHRNA4AR
SCHEMBL15205522 0.81 CHRNB2 (0.59) CHRNB4CHRNA3CHRNB2CHRNA4AR
SCHEMBL26951386 0.78 CHRNB2 (0.54) CHRNB4CHRNA3CHRNB2CHRNA4AR
SCHEMBL17843209 0.77 CHRNB2 (0.62) CHRNB4CHRNA3CHRNB2CHRNA4AR
SCHEMBL25855696 0.77 CCR6 (0.55) CHRNB4CHRNA3CHRNB2CHRNA4AR

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 CHRNB4 15/4885CHRNA3 5/4885CHRNB2 18/4885
US-20040242558-A1 Pyridylether derivatives, their preparation and use CHRNA4, CHRNA5, CHRM3 CHRNB4 15/4885CHRNA3 5/4885CHRNB2 18/4885

“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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