SCHEMBL3567829

SCHEMBL3567829

COC(CCn1cc(-c2ccc(C)nc2Cl)c(=O)[nH]c1=O)OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.35
TK1 P04183 1/20 0.33
HPGD P15428 3/20 0.32
ALDH1A1 P00352 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
METAP2 P50579 1/20 0.31
KDM4E B2RXH2 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPK1 P28482 1/20 0.30
ATM Q13315 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
PSMD14 O00487 1/20 0.30
TSHR P16473 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
TK2 O00142 2/20 0.30
ADORA2B P29275 1/20 0.30

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
SCHEMBL3554398 0.86 HTT (0.35) HTTTK1HPGDALDH1A1SMN1; SMN2
SCHEMBL3560418 0.82 ADORA1 (0.40) HTTTK1HPGDCYP1A2CYP2C19
SCHEMBL3558215 0.81 HPGD (0.33) HTTHPGDALDH1A1SMN1; SMN2CYP1A2
SCHEMBL3568177 0.78 HTT (0.38) HTTTK1HPGDALDH1A1KDM4E
SCHEMBL2745502 0.77 HTT (0.36) HTTTK1HPGDALDH1A1SMN1; SMN2
SCHEMBL3567135 0.76 TK2 (0.36) HTTTK1HPGDALDH1A1KDM4E
SCHEMBL3558541 0.76 DRD1 (0.35) HTTALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL2745910 0.75 HTT (0.37) HTTTK1ALDH1A1KMT2A
SCHEMBL3566940 0.75 HTT (0.38) HTTTK1ALDH1A1CYP1A2CYP2C19
SCHEMBL3564506 0.74 HTT (0.36) HTTTK1HPGDMAPK1KMT2A

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-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 HTT 2295/4885TK1 386/4885HPGD 1463/4885

“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.