SCHEMBL6972009

SCHEMBL6972009

CN1CCN(c2cc(N)cc3c2OCC3)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
DRD4 P21917 1/20 0.44
HTR2A P28223 1/20 0.44
DRD3 P35462 1/20 0.44
KDM4E B2RXH2 4/20 0.43
MAPT P10636 3/20 0.43
RAD52 P43351 1/20 0.43
HTR6 P50406 1/20 0.41
GAA P10253 2/20 0.41
PTK2B Q14289 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
ADRA2C P18825 3/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL31239507 0.86 ALDH1A1 (0.40) KDM4EMAPTGAAPTK2BMAPK1
SCHEMBL31051911 0.81 DRD2 (0.48) DRD2DRD1DRD4HTR2ADRD3
SCHEMBL31239490 0.81 PARP1 (0.33) HTR6
Hydrochloric Acid SCHEMBL31346967 0.80 PARP1 (0.33) HTR6
SCHEMBL27502417 0.80 KDM4E (0.51) DRD2DRD1DRD4HTR2ADRD3
SCHEMBL9050295 0.76 HTT (0.46) DRD2DRD1DRD4HTR2ADRD3
SCHEMBL2335075 0.76 HPGD (0.41) DRD2DRD1DRD4HTR2ADRD3
SCHEMBL27504532 0.75 HTR6 (0.48) DRD2DRD1DRD4HTR2ADRD3
SCHEMBL9049827 0.74 DRD2 (0.54) DRD2DRD1DRD4HTR2ADRD3
SCHEMBL2361358 0.73 HPGD (0.39) DRD2DRD1DRD4HTR2ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946539-B1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 2003-08-13 EP claimed
US-20030069233-A1 Sulphonamide derivatives, process for their preparation, and their use as medicaments SMITHKLINE BEECHAM P.L.C. 2003-04-10 US claimed
EP-0946539-A1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1999-10-06 EP claimed
WO-1998027081-A1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1998-06-25 WO claimed
EP-0946539-B1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 2003-08-13 EP disclosed
US-20030069233-A1 Sulphonamide derivatives, process for their preparation, and their use as medicaments SMITHKLINE BEECHAM P.L.C. 2003-04-10 US disclosed
US-6423717-B1 NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-23 US disclosed
CN-1246116-A Sulfonamide derivatives, process for their preparation and their use as medicaments SMITHKLINE BEECHAM PLC (GB) 2000-03-01 CN disclosed
EP-0946539-A1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1999-10-06 EP disclosed
WO-1998027081-A1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1998-06-25 WO disclosed
EP-0724580-A1 BENZANILIDE DERIVATIVES AS 5HT-1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-08-07 EP disclosed
WO-1995011243-A1 BENZANILIDE DERIVATIVES AS 5HT-1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-04-27 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-20030069233-A1 Sulphonamide derivatives, process for their preparation, and their use as medicaments TPMT, MPST, STS DRD2 812/4885DRD1 753/4885DRD4 500/4885

“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.