SCHEMBL1134483

SCHEMBL1134483

O=C(Nc1cc(F)cc(F)c1)c1cncc(N2CC[C@H]3CNC[C@H]32)c1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
HTR2B P41595 2/20 0.47
CHRNB4 P30926 6/20 0.47
CHRNA3 P32297 6/20 0.47
CHRNB2 P17787 4/20 0.47
CHRNA4 P43681 4/20 0.47

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
SCHEMBL1134611 1.00 HTR2A (0.47) HTR2AHTR2CHTR2BCHRNB4CHRNA3
SCHEMBL1135397 0.84 CHRNB4 (0.60) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL27594036 0.78 HTR2A (0.66) HTR2AHTR2CHTR2BCHRNB4CHRNA3
SCHEMBL650507 0.78 HTR2A (0.66) HTR2AHTR2CHTR2BCHRNB4CHRNA3
SCHEMBL650508 0.78 HTR2A (0.66) HTR2AHTR2CHTR2BCHRNB4CHRNA3
SCHEMBL2065039 0.76 USP30 (0.45) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2065041 0.76 USP30 (0.45) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2065268 0.76 USP30 (0.45) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL1134582 0.74 SCN2A (0.50) HTR2AHTR2CHTR2BCHRNB4CHRNA3
SCHEMBL3220579 0.74 CHRNB2 (0.63) 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 HTR2A 669/4885HTR2C 618/4885HTR2B 292/4885
US-20090281118-A1 Selective Ligands for the Neuronal Nicotinic Receptors and Uses Thereof CHRNA4, CHRNB4, CHRNA2 HTR2A 533/4885HTR2C 573/4885HTR2B 286/4885

“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.