SCHEMBL3574498

SCHEMBL3574498

Cc1cccc(-c2ccn(CCCCCl)c(=O)n2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.43
CCR8 P51685 1/20 0.43
ADORA2B P29275 2/20 0.37
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
CYP2A6 P11509 1/20 0.34
METAP2 P50579 1/20 0.34
TGFBR1 P36897 3/20 0.34
KDR P35968 1/20 0.34
BRD4 O60885 1/20 0.33
SIK2 Q9H0K1 3/20 0.32
STK4 Q13043 2/20 0.32
STK3 Q13188 2/20 0.32
STK26 Q9P289 2/20 0.32
STK24 Q9Y6E0 2/20 0.32

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
SCHEMBL591865 0.84 DRD2 (0.44) ADORA2BLMNATSHRSMN1; SMN2DRD2
SCHEMBL2347045 0.81 TLR8 (0.47) SMN1; SMN2DRD2DRD3MAPTKDR
SCHEMBL2351423 0.80 TLR8 (0.44) ADORA2BLMNASMN1; SMN2DRD2DRD3
SCHEMBL2347681 0.80 TLR8 (0.43) ADORA2BDRD2DRD3KMT2AMAPT
SCHEMBL591990 0.79 DRD2 (0.47) DRD2DRD3KMT2AKDR
SCHEMBL3572766 0.78 TGFBR1 (0.37) ADORA2BDRD2DRD3KMT2ATGFBR1
SCHEMBL3569102 0.78 KDR (0.38) ADORA2BLMNATSHRSMN1; SMN2DRD2
SCHEMBL3568757 0.75 CDK2 (0.41) LMNA
SCHEMBL2345960 0.75 TLR8 (0.46) TSHRDRD2DRD3KMT2AMAPT
SCHEMBL2346994 0.75 MAPK1 (0.42) LMNATSHRSMN1; SMN2KMT2AMAPT

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
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
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 CCR1 4136/4885CCR8 4394/4885ADORA2B 630/4885

“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.