SCHEMBL5451932

SCHEMBL5451932

NC(=O)CN1CCc2cccc(O)c2C1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.43
DRD3 P35462 2/20 0.43
DRD2 P14416 1/20 0.43
DRD5 P21918 1/20 0.43
BCL2L1 Q07817 1/20 0.41
BAD Q92934 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PARP2 Q9UGN5 2/20 0.40
PARP1 P09874 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 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
SCHEMBL5750755 0.87 DRD1 (0.44) DRD1DRD3DRD2DRD5BCL2L1
SCHEMBL5461335 0.81 DRD2 (0.52) DRD1DRD3DRD2DRD5MEN1
SCHEMBL6395035 0.80 MEN1 (0.60) DRD3DRD2MEN1KMT2APARP2
SCHEMBL5451934 0.79 PNMT (0.56) DRD1DRD3DRD2DRD5BCL2L1
SCHEMBL5467799 0.79 CACNA2D1 (0.47) DRD1DRD3DRD2DRD5MEN1
SCHEMBL5453386 0.77 MEN1 (0.44) DRD1DRD3DRD2DRD5MEN1
SCHEMBL5456128 0.77 ALDH1A1 (0.59) MEN1KMT2AL3MBTL1
SCHEMBL5456255 0.76 RAB9A (0.47) MEN1KMT2AL3MBTL1
SCHEMBL16269409 0.75 DRD1 (0.47) DRD1DRD3DRD2DRD5BCL2L1
SCHEMBL5460735 0.75 CACNA2D1 (0.44) DRD1DRD3DRD2DRD5MEN1

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-1456210-B1 PYRAZOLYL-SUBSTITUTED TRIAZOLOQUINOXALINES JSW RES FORSCHUNGSLABOR GMBH (AT) 2006-02-22 EP claimed
US-20050107611-A1 Pyrazolyl-substituted triazoloquinoxalines JSW-RESEARCH FORSCHUNGSLABOR GMBH (AT) 2005-05-19 US claimed
EP-0745154-B1 MULTICOMPONENT SYSTEM FOR MODIFYING, DECOMPOSING OR BLEACHING LIGNIN, LIGNIN-CONTAINING MATERIALS OR SIMILAR SUBSTANCES AND METHOD OF USING THIS SYSTEM LIGNOZYM GMBH (DE) 1998-09-16 EP claimed
US-20070043024-A1 Azacyclic compounds as inhibitors of sensory neurone specific channels IONIX PHARMACEUTICALS LIMITED (GB) 2007-02-22 US disclosed
EP-1660454-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC CHANNELS Vernalis (R&D) Limited (GB) 2006-05-31 EP disclosed
WO-2005005392-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC CHANNELS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-20 WO disclosed
US-3987196-A FUNGISTATS ELI LILLY AND COMPANY (US) 1976-10-19 US disclosed
US-3987196-A FUNGISTATS ELI LILLY AND COMPANY (US) 1976-10-19 US disclosed
US-3979387-A PROTECTION OF PLANTS FROM FOLIAR PATHOGENS ELI LILLY AND COMPANY (US) 1976-09-07 US 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 (2 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-20070043024-A1 Azacyclic compounds as inhibitors of sensory neurone specific channels SCN1B, SCN1A, SCN10A DRD1 1296/4885DRD3 1782/4885DRD2 1065/4885
US-20050107611-A1 Pyrazolyl-substituted triazoloquinoxalines P2RY1, P2RX5, P2RX1 DRD1 1326/4885DRD3 1396/4885DRD2 1237/4885

“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.