SCHEMBL6973216

SCHEMBL6973216

CC(C)Oc1ccc(N)cc1N1CCN(C)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
MAPT P10636 3/20 0.53
RAD52 P43351 1/20 0.53
ADRA2C P18825 3/20 0.45
ALDH1A1 P00352 3/20 0.45
GAA P10253 2/20 0.45
PTK2B Q14289 2/20 0.45
GFER P55789 1/20 0.45
KMT2A Q03164 1/20 0.45
ESR2 Q92731 1/20 0.45
ADRA1D P25100 5/20 0.43
ADRA1A P35348 5/20 0.43
ADRA1B P35368 5/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL2911459 0.88 MAPT (0.56) KDM4EMAPTRAD52ADRA2CALDH1A1
SCHEMBL1397389 0.83 DRD2 (0.60) KDM4EMAPTRAD52ADRA2CALDH1A1
Hydrochloric Acid SCHEMBL6343779 0.81 KDM4E (0.59) KDM4EMAPTRAD52ADRA2CALDH1A1
Hydrochloric Acid SCHEMBL6345252 0.81 KDM4E (0.59) KDM4EMAPTRAD52ADRA2CALDH1A1
SCHEMBL6973212 0.79 ALDH1A1 (0.59) KDM4EALDH1A1ADRA1DADRA1AADRA1B
SCHEMBL6972479 0.79 MAPT (0.53) KDM4EMAPTRAD52ADRA2CALDH1A1
SCHEMBL15283363 0.79 MAPT (0.54) KDM4EMAPTADRA2CALDH1A1GAA
SCHEMBL14621895 0.78 DRD2 (0.67) ADRA2CADRA1DADRA1AADRA1BDRD2
SCHEMBL29397031 0.76 KDM4E (0.44) KDM4EMAPTRAD52ALDH1A1ADRA1D
SCHEMBL9335253 0.75 MAPT (0.49) KDM4EMAPTRAD52ADRA2CALDH1A1

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
US-6423717-B1 NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-23 US claimed
CN-1246116-A Sulfonamide derivatives, process for their preparation and their use as medicaments SMITHKLINE BEECHAM PLC (GB) 2000-03-01 CN 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

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 KDM4E 1086/4885MAPT 553/4885RAD52 4641/4885

“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.