SCHEMBL5408335

SCHEMBL5408335

OC1CCCN(c2cccnc2)C1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 11/20 0.55
CHRNA4 P43681 11/20 0.55
CHRNB4 P30926 7/20 0.51
CHRNA3 P32297 7/20 0.51
CHRNA7 P36544 3/20 0.49
CHRNA1 P02708 1/20 0.46
CHRNG P07510 1/20 0.46
CHRNB1 P11230 1/20 0.46
CHRND Q07001 1/20 0.46

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
SCHEMBL29505484 1.00 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL24746251 1.00 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL4719579 0.90 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL4881480 0.90 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5405226 0.89 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5416037 0.84 CHRNB2 (0.62) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL29505228 0.84 CHRNB2 (0.62) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL30116323 0.81 HRH3 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL20388854 0.81 HRH3 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL30668708 0.81 CHKA (0.57)

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 15 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
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 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-116546984-A Selective agonists of 5-HT2A receptors and methods of use thereof 耶鲁大学 2023-08-04 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 1/4885CHRNB4 15/4885
US-20040242558-A1 Pyridylether derivatives, their preparation and use CHRNA4, CHRNA5, CHRM3 CHRNB2 18/4885CHRNA4 1/4885CHRNB4 15/4885

“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.