SCHEMBL14940957

SCHEMBL14940957

Cc1cc(F)cc(C#Cc2cncc(OC[C@@H]3CCN3)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 13/20 1.00
CHRNA4 P43681 13/20 1.00
CHRNB4 P30926 1/20 0.56
CHRNA3 P32297 1/20 0.56
CHRNA2 Q15822 1/20 0.56

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
SCHEMBL14940959 1.00 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA2
SCHEMBL14941016 0.92 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA2
SCHEMBL14941018 0.92 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA2
SCHEMBL14941383 0.89 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA2
SCHEMBL14941382 0.89 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA2
SCHEMBL16194964 0.86 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA2
SCHEMBL14952141 0.86 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA2
SCHEMBL14941167 0.84 CHRNB2 (0.78) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA2
SCHEMBL14952145 0.84 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA2
SCHEMBL16194908 0.84 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2776423-B1 PHENYL-SUBSTITUTED NICOTINIC LIGANDS, AND METHODS OF USE THEREOF UNIV GEORGETOWN (US) 2020-05-06 EP disclosed
EP-2776423-B1 PHENYL-SUBSTITUTED NICOTINIC LIGANDS, AND METHODS OF USE THEREOF UNIV GEORGETOWN (US) 2020-05-06 EP disclosed
US-9994548-B2 Phenyl-substituted nicotinic ligands, and methods of use thereof GEORGETOWN UNIVERSITY (US) 2018-06-12 US disclosed
US-9994548-B2 Phenyl-substituted nicotinic ligands, and methods of use thereof GEORGETOWN UNIVERSITY (US) 2018-06-12 US disclosed
US-9994548-B2 Phenyl-substituted nicotinic ligands, and methods of use thereof GEORGETOWN UNIVERSITY (US) 2018-06-12 US disclosed
US-20170107197-A1 PHENYL-SUBSTITUTED NICOTINIC LIGANDS, AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-04-20 US disclosed
US-20170107197-A1 PHENYL-SUBSTITUTED NICOTINIC LIGANDS, AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-04-20 US disclosed
US-20170107197-A1 PHENYL-SUBSTITUTED NICOTINIC LIGANDS, AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-04-20 US disclosed
US-9346784-B2 Phenyl-substituted nicotinic ligands, and methods of use thereof GEORGETOWN UNIVERSITY (US) 2016-05-24 US disclosed
US-9346784-B2 Phenyl-substituted nicotinic ligands, and methods of use thereof GEORGETOWN UNIVERSITY (US) 2016-05-24 US disclosed
US-9346784-B2 Phenyl-substituted nicotinic ligands, and methods of use thereof GEORGETOWN UNIVERSITY (US) 2016-05-24 US disclosed
US-20140323461-A1 Phenyl-Substituted Nicotinic Ligands, and Methods of Use Thereof DUKE UNIVERSITY 2014-10-30 US disclosed
US-20140323461-A1 Phenyl-Substituted Nicotinic Ligands, and Methods of Use Thereof DUKE UNIVERSITY 2014-10-30 US disclosed
US-20140323461-A1 Phenyl-Substituted Nicotinic Ligands, and Methods of Use Thereof DUKE UNIVERSITY 2014-10-30 US disclosed
EP-2776423-A1 PHENYL-SUBSTITUTED NICOTINIC LIGANDS, AND METHODS OF USE THEREOF Georgetown University (US) 2014-09-17 EP disclosed
WO-2013071067-A1 PHENYL-SUBSTITUTED NICOTINIC LIGANDS, AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2013-05-16 WO disclosed
WO-2013071067-A1 PHENYL-SUBSTITUTED NICOTINIC LIGANDS, AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2013-05-16 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-20170107197-A1 PHENYL-SUBSTITUTED NICOTINIC LIGANDS, AND METHODS OF USE THEREOF PSEN1, PNMT, OPRL1 CHRNB2 56/4885CHRNA4 12/4885CHRNB4 36/4885
US-20140323461-A1 Phenyl-Substituted Nicotinic Ligands, and Methods of Use Thereof PSEN1, PNMT, OPRL1 CHRNB2 56/4885CHRNA4 12/4885CHRNB4 36/4885

“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.