SCHEMBL3569962

SCHEMBL3569962

Cc1cc(-c2cn(CCCCCl)c(=O)[nH]c2=O)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
TK2 O00142 7/20 0.37
TK1 P04183 1/20 0.37
CYP1A2 P05177 3/20 0.36
CYP2C19 P33261 3/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPK1 P28482 2/20 0.35
GRM2 Q14416 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
PIM1 P11309 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK2 Q92630 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
CDC7 O00311 1/20 0.34
ROCK2 O75116 1/20 0.34

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
SCHEMBL3557712 0.77 TK1 (0.42) CYP2C9KMT2AMAPTTK2TK1
SCHEMBL3560179 0.76 TK1 (0.41) CYP2C9KMT2AMAPTTK2TK1
SCHEMBL3570523 0.74 MET (0.46) CYP2C9KMT2AMAPTTK2TK1
SCHEMBL591657 0.73 TK1 (0.56) CYP2C9KMT2AMAPTTK2TK1
SCHEMBL3557983 0.73 CAMK2D (0.42) CYP2C9KMT2AMAPTCYP2C19
SCHEMBL2745920 0.73 CYP2C9 (0.40) CYP2C9KMT2AMAPTTK2TK1
SCHEMBL3561317 0.72 TK2 (0.38) CYP2C9KMT2AMAPTTK2TK1
SCHEMBL2497466 0.72 TK2 (0.56) CYP2C9KMT2AMAPTTK2TK1
SCHEMBL3561465 0.71 KMT2A (0.39) CYP2C9KMT2AMAPTTK2TK1
SCHEMBL3563580 0.71 KMT2A (0.39) KMT2AGRM2CCNCCDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007750-B1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LTD (GB) 2013-08-21 EP disclosed
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-7727988-B2 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2010-06-01 US disclosed
US-7727988-B2 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2010-06-01 US disclosed
US-7727988-B2 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2010-06-01 US disclosed
EP-2007750-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2008-12-31 EP disclosed
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2007-10-25 US disclosed
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2007-10-25 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
WO-2007113232-A1 AZABICYCLO [3. 1. 0] 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-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione AZI2, NT5C3B, CYP1B1 CYP2C9 590/4885KMT2A 1692/4885MAPT 4793/4885

“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.