SCHEMBL1135397

SCHEMBL1135397

O=C(Nc1cc(F)cc(F)c1)c1cncc(N2C[C@H]3CNC[C@H]3C2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 6/20 0.60
CHRNA3 P32297 6/20 0.60
CHRNB2 P17787 1/20 0.60
CHRNA4 P43681 1/20 0.60

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
SCHEMBL1135372 0.86 CHRNB4 (0.44) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL1135379 0.86 CHRNB4 (0.55) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL1135468 0.86 CHRNB4 (0.52) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL1135878 0.85 CHRNB4 (0.56) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL1135537 0.84 CHRNB4 (0.76) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL1134611 0.84 HTR2A (0.47) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL1134483 0.84 HTR2A (0.47) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL1135355 0.83 CHRNB4 (0.74) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL1135332 0.81 CHRNB4 (0.58) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL1135418 0.81 CHRNB4 (0.59) CHRNB4CHRNA3CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2700639-A1 Selective ligands for the neuronal nicotinic receptors and uses thereof Abbvie Inc. (US) 2014-02-26 EP claimed
US-8148408-B2 Selective substituted pyridine ligands for neuronal nicotinic receptors ABBOTT LABORATORIES (US) 2012-04-03 US claimed
EP-2285810-A1 SELECTIVE LIGANDS FOR THE NEURONAL NICOTINIC RECEPTORS AND USES THEREOF Abbott Laboratories (US) 2011-02-23 EP claimed
WO-2009137308-A1 SELECTIVE LIGANDS FOR THE NEURONAL NICOTINIC RECEPTORS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-11-12 WO claimed
US-20090281118-A1 Selective Ligands for the Neuronal Nicotinic Receptors and Uses Thereof ABBOTT LABORATORIES (US) 2009-11-12 US claimed
EP-2700639-A1 Selective ligands for the neuronal nicotinic receptors and uses thereof Abbvie Inc. (US) 2014-02-26 EP disclosed
US-8648084-B2 Selective substituted pyrazine ligands for neuronal nicotinic receptors ABBVIE INC. (US) 2014-02-11 US disclosed
US-20120190692-A1 SELECTIVE SUBSTITUTED PYRIDINE LIGANDS FOR NEURONAL NICOTINIC RECEPTORS ABBVIE INC. 2012-07-26 US disclosed
US-8148408-B2 Selective substituted pyridine ligands for neuronal nicotinic receptors ABBOTT LABORATORIES (US) 2012-04-03 US disclosed
US-20090281118-A1 Selective Ligands for the Neuronal Nicotinic Receptors and Uses Thereof ABBOTT LABORATORIES (US) 2009-11-12 US 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-20120190692-A1 SELECTIVE SUBSTITUTED PYRIDINE LIGANDS FOR NEURONAL NICOTINIC RECEPTORS CHRNA4, CHRNB4, CHRNA2 CHRNB4 2/4885CHRNA3 9/4885CHRNB2 4/4885
US-20090281118-A1 Selective Ligands for the Neuronal Nicotinic Receptors and Uses Thereof CHRNA4, CHRNB4, CHRNA2 CHRNB4 2/4885CHRNA3 7/4885CHRNB2 4/4885

“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.