SCHEMBL3559799

SCHEMBL3559799

Cc1cccc(-c2c[nH]c(=O)[nH]c2=O)n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
CCR1 P32246 1/20 0.47
CCR8 P51685 1/20 0.47
NT5E P21589 4/20 0.47
LMNA P02545 1/20 0.46
TGFBR1 P36897 5/20 0.43
ATAD2 Q6PL18 1/20 0.43
METAP2 P50579 1/20 0.42
SIK2 Q9H0K1 1/20 0.40
CYP2A6 P11509 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
Hydrochloric Acid SCHEMBL3558331 0.98 ALDH1A1 (0.47) ALDH1A1CCR1CCR8NT5ELMNA
SCHEMBL1555373 0.82 ALDH1A1 (0.50) ALDH1A1NT5ELMNAATAD2CYP1A2
SCHEMBL13314195 0.81 ALDH1A1 (0.49) ALDH1A1NT5ELMNAATAD2
Hydrochloric Acid SCHEMBL3558338 0.79 ALDH1A1 (0.47) ALDH1A1NT5ELMNAATAD2
SCHEMBL13314198 0.77 ALDH1A1 (0.45) ALDH1A1NT5ELMNACYP1A2CYP3A4
SCHEMBL30701752 0.76 CDK2 (0.50) ALDH1A1NT5ELMNAATAD2
Hydrochloric Acid SCHEMBL3568171 0.76 ALDH1A1 (0.44) ALDH1A1NT5ELMNACYP1A2CYP3A4
SCHEMBL8675092 0.73 ALDH1A1 (0.56) ALDH1A1CCR1CCR8NT5ELMNA
SCHEMBL13314259 0.73 ALDH1A1 (0.44) ALDH1A1NT5ELMNAATAD2
SCHEMBL13314237 0.73 ALDH1A1 (0.44) ALDH1A1NT5ELMNAATAD2

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 9 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
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

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 ALDH1A1 87/4885CCR1 1890/4885CCR8 2813/4885

“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.