SCHEMBL3571122

SCHEMBL3571122

O=c1nc(-c2cccnc2)ccn1CCCCCl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.46
GRM2 Q14416 2/20 0.45
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
PTK2 Q05397 1/20 0.41
CYP2A6 P11509 6/20 0.40
CYP2E1 P05181 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2B6 P20813 3/20 0.40
CYP2C19 P33261 3/20 0.40
DHPS P49366 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 1/20 0.39
ABL1 P00519 2/20 0.38
PRKCA P17252 2/20 0.38
PRKCD Q05655 2/20 0.38
BCR P11274 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
KDR P35968 1/20 0.37

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
SCHEMBL591990 0.86 DRD2 (0.47) TLR8DRD2DRD3KDR
SCHEMBL2345960 0.80 TLR8 (0.46) TLR8CYP3A4DRD2DRD3KDR
SCHEMBL2347045 0.80 TLR8 (0.47) TLR8GRM2DRD2DRD3KDR
SCHEMBL2347681 0.78 TLR8 (0.43) TLR8GRM2DRD2DRD3KDR
SCHEMBL2350402 0.78 TLR8 (0.42) TLR8ABL1DRD2DRD3KDR
SCHEMBL3567954 0.78 TLR8 (0.46) TLR8GRM2CYP2A6CYP2E1CYP2C9
SCHEMBL3569102 0.77 KDR (0.38) GRM2CYP2C9CYP3A4DRD2DRD3
SCHEMBL3572766 0.77 TGFBR1 (0.37) GRM2DRD2DRD3
SCHEMBL2348863 0.76 KDR (0.35) DRD2DRD3KDRCYP11B1CYP11B2
SCHEMBL3574498 0.75 CCR1 (0.43) CYP2A6DRD2DRD3KDRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007751-B1 AZABICYCLO [3. 1. O] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LTD (GB) 2013-08-21 EP disclosed
EP-2007751-B1 AZABICYCLO [3. 1. O] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LTD (GB) 2013-08-21 EP disclosed
US-8222266-B2 Azabicyclo [3.1.0] hexyl derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-07-17 US disclosed
US-8222266-B2 Azabicyclo [3.1.0] hexyl derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-07-17 US disclosed
US-8222266-B2 Azabicyclo [3.1.0] hexyl derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-07-17 US disclosed
US-20100069416-A1 Azabicyclo [3.1.0] Hexyl Derivatives as Modulators of Dopamine D3 Receptors GLAXO GROUP LIMITED 2010-03-18 US disclosed
US-20100069416-A1 Azabicyclo [3.1.0] Hexyl Derivatives as Modulators of Dopamine D3 Receptors GLAXO GROUP LIMITED 2010-03-18 US disclosed
US-20100069416-A1 Azabicyclo [3.1.0] Hexyl Derivatives as Modulators of Dopamine D3 Receptors GLAXO GROUP LIMITED 2010-03-18 US disclosed
EP-2007751-A1 AZABICYCLO [3. 1. O] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2008-12-31 EP disclosed
WO-2007113260-A1 AZABICYCLO [3. 1. O] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-10-11 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 (1 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-20100069416-A1 Azabicyclo [3.1.0] Hexyl Derivatives as Modulators of Dopamine D3 Receptors DRD3, DRD2, HTR3A TLR8 3569/4885GRM2 106/4885HSP90AA1 2003/4885

“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.