SCHEMBL3558034

SCHEMBL3558034

Cc1ccsc1-c1cnc(OC(C)(C)C)nc1OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.49
ATM Q13315 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 1/20 0.48
CYP2A6 P11509 8/20 0.40
CYP3A4 P08684 2/20 0.36
CYP2B6 P20813 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2E1 P05181 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
PDE2A O00408 1/20 0.31
PDE5A O76074 1/20 0.31
PDE4A P27815 1/20 0.31
PDE7A Q13946 1/20 0.31

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
SCHEMBL13049649 0.73 GAA (0.65) NPSR1ATMMEN1KMT2AALDH1A1
SCHEMBL30701742 0.70 NPSR1 (0.50) NPSR1ATMMEN1KMT2AALDH1A1
SCHEMBL12095301 0.69 KDM4E (0.53) NPSR1ATMMEN1KMT2AALDH1A1
SCHEMBL9953395 0.68 MEN1 (0.49) NPSR1ATMMEN1KMT2AALDH1A1
SCHEMBL8936693 0.68 NPSR1 (0.56) NPSR1ATMMEN1KMT2AALDH1A1
SCHEMBL3817278 0.67 GAA (0.65) NPSR1ATMMEN1KMT2AALDH1A1
SCHEMBL14586465 0.67 GAA (0.65) NPSR1ATMMEN1KMT2AALDH1A1
SCHEMBL896479 0.65 GAA (1.00) NPSR1ATMMEN1KMT2AALDH1A1
SCHEMBL18380993 0.65 GAA (0.62) NPSR1ATMMEN1KMT2AALDH1A1
SCHEMBL29271046 0.65 GAA (0.62) NPSR1ATMMEN1KMT2AALDH1A1

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 NPSR1 2206/4885ATM 4554/4885MEN1 664/4885

“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.