SCHEMBL2889530

SCHEMBL2889530

O=C(N[C@@H]1CN2CCC1CC2)c1cc2ncccc2s1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 19/20 0.69
HTR3A P46098 6/20 0.69
HTR3E A5X5Y0 4/20 0.69
HTR3B O95264 4/20 0.69
HTR3D Q70Z44 4/20 0.69
HTR3C Q8WXA8 4/20 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
SCHEMBL2897420 1.00 CHRNA7 (0.69) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843108 0.94 CHRNA7 (0.61) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL844219 0.83 CHRNA7 (0.48) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6849073 0.83 CHRNA7 (0.48) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6008730 0.82 CHRNA7 (0.69) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6005950 0.82 CHRNA7 (0.69) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL11916930 0.81 CHRNA7 (1.00) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL15532751 0.81 CHRNA7 (1.00) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL2199947 0.81 CHRNA7 (1.00) CHRNA7HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL2895993 0.81 CHRNA7 (0.67) 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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067515-B2 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease PFIZER INC. (US) 2006-06-27 US claimed
EP-1406901-A1 QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-04-14 EP claimed
US-20030045540-A1 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-03-06 US claimed
WO-2002100857-A1 QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2002-12-19 WO claimed
US-8884017-B2 2-heteroarylcarboxylic acid amides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-11 US disclosed
US-8884017-B2 2-heteroarylcarboxylic acid amides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-11 US disclosed
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-20120202842-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER SCHERING PHARMA AG (DE) 2012-08-09 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
EP-1461335-B1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2007-02-28 EP disclosed
US-7067515-B2 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease PFIZER INC. (US) 2006-06-27 US disclosed
US-20050119325-A1 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 FMR LLC 2005-06-02 US disclosed
EP-1461335-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES Bayer HealthCare AG (DE) 2004-09-29 EP disclosed
EP-1406901-A1 QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-04-14 EP disclosed
WO-2003055878-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2003-07-10 WO disclosed
US-20030045540-A1 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-03-06 US disclosed
WO-2002100857-A1 QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2002-12-19 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 (3 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-20030045540-A1 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease NQO2, SLC10A1, CYP7A1 CHRNA7 594/4885HTR3A 971/4885HTR3E 1472/4885
US-20050119325-A1 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 CHRNA2, CHRNA7, CHRNA3 CHRNA7 2/4885HTR3A 298/4885HTR3E 650/4885
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.