SCHEMBL6381069

SCHEMBL6381069

O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(-c3ccccc3)c2s1

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 15/20 0.72
HTR3A P46098 7/20 0.72
HTR3E A5X5Y0 4/20 0.68
HTR3B O95264 4/20 0.68
HTR3D Q70Z44 4/20 0.68
HTR3C Q8WXA8 4/20 0.68

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
Hydrochloric Acid SCHEMBL2197777 0.99 CHRNA7 (0.71) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL12260954 0.91 CHRNA7 (0.66) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL12259898 0.91 CHRNA7 (0.66) CHRNA7HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL2198458 0.90 CHRNA7 (0.65) CHRNA7HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL2198804 0.90 CHRNA7 (0.65) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL12237727 0.90 CHRNA7 (0.67) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL12263519 0.90 CHRNA7 (0.73) CHRNA7HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL2196308 0.89 CHRNA7 (0.66) CHRNA7HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL2195160 0.89 CHRNA7 (0.72) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL12263546 0.89 CHRNA7 (0.68) 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 13 patents. 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-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-20120258964-A1 2-HETEROARYL CARBOXAMIDES BAYER SCHERING PHARMA AG (DE) 2012-10-11 US disclosed
US-20120258964-A1 2-HETEROARYL CARBOXAMIDES BAYER SCHERING PHARMA AG (DE) 2012-10-11 US disclosed
US-20110263591-A1 2-HETEROARYL CARBOXAMIDES BAYER SCHERING PHARMA AG (DE) 2011-10-27 US disclosed
US-7977485-B2 2-heteroaryl carboxamides BAYER SCHERING PHARMA AKTIENGESELLSHAFT (DE) 2011-07-12 US disclosed
US-7977485-B2 2-heteroaryl carboxamides BAYER SCHERING PHARMA AKTIENGESELLSHAFT (DE) 2011-07-12 US disclosed
EP-1515967-A1 2-HETEROARYL CARBOXAMIDES Bayer HealthCare AG (DE) 2005-03-23 EP disclosed
WO-2003104227-A1 2-HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2003-12-18 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-20140350008-A1 2-HETEROARYL CARBOXAMIDES GRIN2A, CNR2, GRIN2C CHRNA7 70/4885HTR3A 205/4885HTR3E 278/4885
US-20120258964-A1 2-HETEROARYL CARBOXAMIDES GRIN2A, CNR2, GRIN2C CHRNA7 70/4885HTR3A 205/4885HTR3E 278/4885
US-20160122337-A1 2-HETEROARYL CARBOXAMIDES GRIN2A, CNR2, GRIN2C CHRNA7 70/4885HTR3A 205/4885HTR3E 278/4885
US-20110263591-A1 2-HETEROARYL CARBOXAMIDES GRIN2A, CNR2, GRIN2C CHRNA7 70/4885HTR3A 205/4885HTR3E 278/4885

“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.