SCHEMBL6637705

SCHEMBL6637705

COc1ccc2cc(C(=O)N[C@@H]3CN4CCC3CC4)sc2c1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 15/20 0.72
HTR3A P46098 5/20 0.69
HTR3E A5X5Y0 1/20 0.69
HTR3B O95264 1/20 0.69
HTR3D Q70Z44 1/20 0.69
HTR3C Q8WXA8 1/20 0.69

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
SCHEMBL11919821 1.00 CHRNA7 (0.72) CHRNA7HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL2893307 0.99 CHRNA7 (0.70) CHRNA7HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL2896076 0.99 CHRNA7 (0.70) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL12237719 0.89 CHRNA7 (0.64) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL1101782 0.89 CHRNA7 (0.74) CHRNA7HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL2200703 0.89 CHRNA7 (0.63) CHRNA7HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL1091628 0.89 CHRNA7 (0.73) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL1101798 0.87 HTR3A (0.73) CHRNA7HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL1091088 0.86 HTR3A (0.72) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6632331 0.84 CHRNA7 (0.83) CHRNA7HTR3AHTR3EHTR3BHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884017-B2 2-heteroarylcarboxylic acid amides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-11 US disclosed
US-20120202842-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER SCHERING PHARMA AG (DE) 2012-08-09 US disclosed
US-8076355-B2 2-heteroarylcarboxylic acid amides BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-13 US disclosed
US-8076355-B2 2-heteroarylcarboxylic acid amides BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-13 US disclosed
US-20100222378-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER SCHERING PHARMA AG (DE) 2010-09-02 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-1461335-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES Bayer HealthCare AG (DE) 2004-09-29 EP 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 (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-20100222378-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES HCAR2, HCAR1, GRIN2A CHRNA7 354/4885HTR3A 637/4885HTR3E 785/4885
US-20120202842-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES HCAR2, HCAR1, GRIN2A CHRNA7 354/4885HTR3A 637/4885HTR3E 785/4885

“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.