SCHEMBL2197352

SCHEMBL2197352

O=C(N[C@H]1CN2CCC1CC2)c1cc2cc(Br)ccc2o1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 13/20 0.76
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
HTR3A P46098 2/20 0.54
HTR3E A5X5Y0 1/20 0.54
HTR3B O95264 1/20 0.54
CYP2D6 P10635 1/20 0.54
HTR3D Q70Z44 1/20 0.54
HTR3C Q8WXA8 1/20 0.54
CHRNB2 P17787 1/20 0.52
CHRNA4 P43681 1/20 0.52

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
SCHEMBL6632927 1.00 CHRNA7 (0.76) CHRNA7NPC1RAB9AHTR3AHTR3E
Hydrochloric Acid SCHEMBL2198171 0.99 CHRNA7 (0.74) CHRNA7NPC1RAB9AHTR3AHTR3E
Hydrochloric Acid SCHEMBL2898309 0.99 CHRNA7 (0.74) CHRNA7NPC1RAB9AHTR3AHTR3E
SCHEMBL2196311 0.91 CHRNA7 (0.78) CHRNA7NPC1RAB9AHTR3AHTR3E
Hydrochloric Acid SCHEMBL2898299 0.90 CHRNA7 (0.76) CHRNA7NPC1RAB9AHTR3AHTR3E
SCHEMBL2889527 0.87 CHRNA7 (0.83) CHRNA7HTR3AHTR3EHTR3BCYP2D6
SCHEMBL2893440 0.87 CHRNA7 (0.83) CHRNA7HTR3AHTR3EHTR3BCYP2D6
SCHEMBL6633474 0.86 CHRNA7 (1.00) CHRNA7HTR3AHTR3EHTR3BCYP2D6
SCHEMBL2889863 0.86 CHRNA7 (1.00) CHRNA7HTR3AHTR3EHTR3BCYP2D6
SCHEMBL6633932 0.86 CHRNA7 (0.76) CHRNA7HTR3AHTR3EHTR3BCYP2D6

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160122337-A1 2-HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2016-05-05 US disclosed
US-20160122337-A1 2-HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2016-05-05 US disclosed
US-20160122337-A1 2-HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2016-05-05 US disclosed
US-9067931-B2 2-heteroaryl carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-30 US disclosed
US-9067931-B2 2-heteroaryl carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-30 US disclosed
US-9067931-B2 2-heteroaryl carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-30 US disclosed
US-20140350008-A1 2-HETEROARYL CARBOXAMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-27 US disclosed
US-20140350008-A1 2-HETEROARYL CARBOXAMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-27 US disclosed
US-20140350008-A1 2-HETEROARYL CARBOXAMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-27 US disclosed
US-8884017-B2 2-heteroarylcarboxylic acid amides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-11 US disclosed
US-20100222378-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER SCHERING PHARMA AG (DE) 2010-09-02 US disclosed
US-7732477-B2 N-(1-azabicyclo[2.2.2]oct-3-yl)-heteroaryl carboxamides; alpha 7-nicotinic acetylcholine receptors (nAChR) agonists; improving perception, concentration, learning and memory; neuropathic pain; acute and chronic pain BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-08 US disclosed
US-7732477-B2 N-(1-azabicyclo[2.2.2]oct-3-yl)-heteroaryl carboxamides; alpha 7-nicotinic acetylcholine receptors (nAChR) agonists; improving perception, concentration, learning and memory; neuropathic pain; acute and chronic pain BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-08 US disclosed
EP-1461335-B1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2007-02-28 EP disclosed
EP-1515967-B1 2-HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2006-11-02 EP disclosed
US-20060160877-A1 2-Heteroaryl carboxamides BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-20 US disclosed
EP-1515967-A1 2-HETEROARYL CARBOXAMIDES Bayer HealthCare AG (DE) 2005-03-23 EP disclosed
EP-1461335-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES Bayer HealthCare AG (DE) 2004-09-29 EP disclosed
WO-2003104227-A1 2-HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2003-12-18 WO disclosed
WO-2003055878-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2003-07-10 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 (4 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-20100222378-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES HCAR2, HCAR1, GRIN2A CHRNA7 354/4885NPC1 104/4885RAB9A 3434/4885
US-20140350008-A1 2-HETEROARYL CARBOXAMIDES GRIN2A, CNR2, GRIN2C CHRNA7 70/4885NPC1 94/4885RAB9A 3256/4885
US-20160122337-A1 2-HETEROARYL CARBOXAMIDES GRIN2A, CNR2, GRIN2C CHRNA7 70/4885NPC1 94/4885RAB9A 3256/4885
US-20060160877-A1 2-Heteroaryl carboxamides GRIN2A, CNR2, GRIN2C CHRNA7 70/4885NPC1 94/4885RAB9A 3256/4885

“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.