SCHEMBL834016

SCHEMBL834016

O=C(NC1CN2CCC1CC2)c1ccc(Sc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 11/20 1.00
HTR3E A5X5Y0 5/20 0.66
HTR3B O95264 5/20 0.66
HTR3A P46098 5/20 0.66
HTR3D Q70Z44 5/20 0.66
HTR3C Q8WXA8 5/20 0.66
ALOX15 P16050 1/20 0.66
TSHR P16473 1/20 0.66

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
SCHEMBL373736 1.00 CHRNA7 (1.00) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6305165 0.94 CHRNA7 (0.88) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6881216 0.90 CHRNA7 (0.81) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6873009 0.89 CHRNA7 (0.80) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7607972 0.89 CHRNA7 (0.80) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6881399 0.89 CHRNA7 (0.80) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL372855 0.89 CHRNA7 (0.85) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6882647 0.89 CHRNA7 (0.80) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6881253 0.88 CHRNA7 (0.79) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL3225472 0.88 CHRNA7 (0.78) CHRNA7HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541447-B2 3-substituted-2-(arlyalkyl)-1-azabicycloalkanes and methods of use thereof TARGACEPT, INC. (US) 2013-09-24 US disclosed
US-8541447-B2 3-substituted-2-(arlyalkyl)-1-azabicycloalkanes and methods of use thereof TARGACEPT, INC. (US) 2013-09-24 US disclosed
US-20120136024-A1 3-Substituted-2-(arlyalkyl)-1-azabicycloalkanes and Methods of Use Thereof TARGACEPT, INC. (US) 2012-05-31 US disclosed
US-20120136024-A1 3-Substituted-2-(arlyalkyl)-1-azabicycloalkanes and Methods of Use Thereof TARGACEPT, INC. (US) 2012-05-31 US disclosed
US-8158649-B2 3-substituted-2(arylalkyl)-1-azabicycloalkanes and methods of use thereof TARGACEPT, INC. (US) 2012-04-17 US disclosed
US-8158649-B2 3-substituted-2(arylalkyl)-1-azabicycloalkanes and methods of use thereof TARGACEPT, INC. (US) 2012-04-17 US disclosed
US-8143272-B2 3-substituted-2(arylalkyl)-1-azabicycloalkanes and methods of use thereof TARGACEPT, INC. (US) 2012-03-27 US disclosed
US-8143272-B2 3-substituted-2(arylalkyl)-1-azabicycloalkanes and methods of use thereof TARGACEPT, INC. (US) 2012-03-27 US disclosed
US-8124620-B2 3-Substituted-2(arylalkyl)-1-azabicycloalkanes and methods of use thereof TARGACEPT, INC. (US) 2012-02-28 US disclosed
US-8124620-B2 3-Substituted-2(arylalkyl)-1-azabicycloalkanes and methods of use thereof TARGACEPT, INC. (US) 2012-02-28 US disclosed
US-20100152232-A1 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF TARGACEPT, INC. (US) 2010-06-17 US disclosed
US-20100152232-A1 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF TARGACEPT, INC. (US) 2010-06-17 US disclosed
US-20100152233-A1 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF TARGACEPT, INC. (US) 2010-06-17 US disclosed
US-20100152233-A1 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF TARGACEPT, INC. (US) 2010-06-17 US disclosed
US-7425561-B2 3-substituted-2(arylalkyl)-1-azabicycloalkanes and methods of use thereof TARGACEPT, INC. (US) 2008-09-16 US disclosed
US-7425561-B2 3-substituted-2(arylalkyl)-1-azabicycloalkanes and methods of use thereof TARGACEPT, INC. (US) 2008-09-16 US disclosed
US-20080138287-A1 3-SUBSTITUTED-2(ARYLALKYL)-1- AZABICYCLOALKANES AND METHODS OF USE THEREOF ATTENUA, INC. 2008-06-12 US disclosed
US-20080138287-A1 3-SUBSTITUTED-2(ARYLALKYL)-1- AZABICYCLOALKANES AND METHODS OF USE THEREOF ATTENUA, INC. 2008-06-12 US disclosed
US-20040002513-A1 3-Substituted-2(arylalkyl)-1-azabicycloalkanes and methods of use thereof ATTENUA, INC. 2004-01-01 US disclosed
US-20040002513-A1 3-Substituted-2(arylalkyl)-1-azabicycloalkanes and methods of use thereof ATTENUA, INC. 2004-01-01 US 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 (5 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-20100152233-A1 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF CHRNA7, CHRNA3, CHRNA5 CHRNA7 1/4885HTR3E 588/4885HTR3B 336/4885
US-20080138287-A1 3-SUBSTITUTED-2(ARYLALKYL)-1- AZABICYCLOALKANES AND METHODS OF USE THEREOF CHRNA7, CHRNA5, CHRNA3 CHRNA7 1/4885HTR3E 649/4885HTR3B 380/4885
US-20120136024-A1 3-Substituted-2-(arlyalkyl)-1-azabicycloalkanes and Methods of Use Thereof CHRNA7, CHRNA1, CHRNA3 CHRNA7 1/4885HTR3E 535/4885HTR3B 335/4885
US-20100152232-A1 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF CHRNA7, CHRNA3, CHRNA5 CHRNA7 1/4885HTR3E 588/4885HTR3B 336/4885
US-20040002513-A1 3-Substituted-2(arylalkyl)-1-azabicycloalkanes and methods of use thereof CHRNA7, CHRNA3, CHRNA1 CHRNA7 1/4885HTR3E 733/4885HTR3B 503/4885

“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.