SCHEMBL3561707

SCHEMBL3561707

Clc1ccc(C23CNCC2C3)cc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.69
SLC6A4 P31645 8/20 0.69
SLC6A3 Q01959 8/20 0.69
KCNH2 Q12809 2/20 0.69
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2D6 P10635 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 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
SCHEMBL4759967 1.00 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL13007711 1.00 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL11911728 1.00 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
Hydrochloric Acid SCHEMBL7910881 0.98 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL904112 0.84 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL4712172 0.81 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL2712443 0.81 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL4712621 0.81 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL4712623 0.81 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL4657652 0.81 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904059-A2 METHOD FOR TREATING NERVOUS SYSTEM DISORDERS AND CONDITIONS Wyeth a Corporation of the State of Delaware (US) 2008-04-02 EP claimed
WO-2007013936-A2 METHOD FOR TREATING NERVOUS SYSTEM DISORDERS AND CONDITIONS WYETH (US) 2007-02-01 WO claimed
US-20070021488-A1 Method for treating nervous system disorders and conditions WYETH (US) 2007-01-25 US claimed
US-6204284-B1 ALCOHOL OR COCAINE ABUSE AMERICAN CYANAMID COMPANY 2001-03-20 US claimed
EP-2007750-B1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LTD (GB) 2013-08-21 EP disclosed
US-8283474-B2 Azabicyclo (3.1.0) hexane derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-10-09 US disclosed
US-8263782-B2 Azabicyclo (3.1.0) hexane derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-09-11 US disclosed
US-20120196910-A1 USE OF AZABICYCLO HEXANE DERIVATIVES HAMPRECHT DIETER (IT) 2012-08-02 US disclosed
US-7855298-B2 Azabicyclo (3.1.0.) hexane derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2010-12-21 US disclosed
US-20100160336-A1 Azabicyclo (3.1.0) Hexane Derivatives Useful As Modulators Of Dopamine D3 Receptors GLAXO GROUP LIMITED (GB) 2010-06-24 US disclosed
US-20100152195-A1 Azabicyclo (3.1.0) Hexane Derivatives Useful As Modulators Of Dopamine D3 Receptors GLAXO GROUP LIMITED 2010-06-17 US disclosed
US-7727988-B2 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2010-06-01 US disclosed
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2007-10-25 US disclosed
WO-2007113232-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-10-11 WO disclosed
US-20070021488-A1 Method for treating nervous system disorders and conditions WYETH (US) 2007-01-25 US disclosed
US-4435419-A Method of treating depression using azabicyclohexanes AMERICAN CYANAMID COMPANY (US) 1984-03-06 US disclosed
US-4231935-A ANXIOLYTICS AND ANALGESICS AMERICAN CYANAMID COMPANY (US) 1980-11-04 US disclosed
US-4196120-A 1,2-BIS(HYDROCARBYLSULFONYLOXY OR HALO METHYL)CYCLOPROPYLBENZENE, OPTICAL ACITIVITY ANALGESICS AMERICAN CYANAMID COMPANY (US) 1980-04-01 US disclosed
US-4131611-A ANXIOLYTIC, ANALGESIC AMERICAN CYANAMID COMPANY (US) 1978-12-26 US disclosed
US-4088652-A Acylazabicyclohexanes AMERICAN CYANAMID COMPANY (US) 1978-05-09 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-20100152195-A1 Azabicyclo (3.1.0) Hexane Derivatives Useful As Modulators Of Dopamine D3 Receptors DRD3, DRD1, DRD2 SLC6A2 654/4885SLC6A4 660/4885SLC6A3 26/4885
US-20100160336-A1 Azabicyclo (3.1.0) Hexane Derivatives Useful As Modulators Of Dopamine D3 Receptors DRD3, DRD1, DRD2 SLC6A2 654/4885SLC6A4 660/4885SLC6A3 26/4885
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione AZI2, NT5C3B, CYP1B1 SLC6A2 2528/4885SLC6A4 2034/4885SLC6A3 1145/4885
US-20120196910-A1 USE OF AZABICYCLO HEXANE DERIVATIVES HTT, GBA2, GBA1 SLC6A2 360/4885SLC6A4 395/4885SLC6A3 18/4885
US-20070021488-A1 Method for treating nervous system disorders and conditions AVPR1B, AVPR2, AVPR1A SLC6A2 33/4885SLC6A4 145/4885SLC6A3 100/4885

“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.