SCHEMBL6979317

SCHEMBL6979317

COc1ccc(N)cc1N1CC[N]CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.54
ALDH1A1 P00352 7/20 0.54
KDM4E B2RXH2 6/20 0.54
LMNA P02545 3/20 0.54
NR4A1 P22736 2/20 0.45
HTR3E A5X5Y0 2/20 0.44
HTR3B O95264 2/20 0.44
HTR3A P46098 2/20 0.44
HTR3D Q70Z44 2/20 0.44
HTR3C Q8WXA8 2/20 0.44
USP2 O75604 1/20 0.40
GAA P10253 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
THRB P10828 1/20 0.39
PTK2B Q14289 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 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
SCHEMBL14320628 0.85 MAPT (0.59) MAPTALDH1A1KDM4ELMNANR4A1
SCHEMBL5701472 0.83 ALDH1A1 (0.57) MAPTALDH1A1KDM4ELMNANR4A1
SCHEMBL1397389 0.82 DRD2 (0.60) MAPTALDH1A1KDM4ELMNANR4A1
SCHEMBL2204461 0.82 MAPT (0.58) MAPTALDH1A1KDM4ELMNAHTR3E
SCHEMBL519902 0.81 MAPT (0.57) MAPTALDH1A1KDM4ELMNANR4A1
SCHEMBL29833266 0.81 MAPT (0.57) MAPTALDH1A1KDM4ELMNANR4A1
SCHEMBL2200058 0.81 HTR3E (0.68) MAPTALDH1A1KDM4ELMNAHTR3E
Hydrochloric Acid SCHEMBL6343779 0.81 KDM4E (0.59) MAPTALDH1A1KDM4ELMNANR4A1
Hydrochloric Acid SCHEMBL6345252 0.81 KDM4E (0.59) MAPTALDH1A1KDM4ELMNANR4A1
SCHEMBL2779635 0.81 HTR3E (0.68) MAPTALDH1A1KDM4ELMNAHTR3E

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 6 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 disclosed
US-6599904-B2 5-HT6 receptor antagonists are believed to be of potential use in the treatment of certain CNS disorders; cognitive memory enhancement SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-29 US 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
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 MAPT 553/4885ALDH1A1 2516/4885KDM4E 1086/4885

“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.