SCHEMBL6982007

SCHEMBL6982007

CN1CCN(c2ccc3c(c2)NCC3)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.51
GAA P10253 3/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
GLA P06280 1/20 0.49
HTR3A P46098 1/20 0.47
KDM4E B2RXH2 4/20 0.46
MAPT P10636 4/20 0.46
PTK2B Q14289 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
ADRA2C P18825 2/20 0.45
ALDH1A1 P00352 2/20 0.44
GFER P55789 1/20 0.44
ESR2 Q92731 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HRH4 Q9H3N8 1/20 0.42

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
SCHEMBL8130926 0.90 GAA (0.46) ASIC3GAAKMT2AMEN1GLA
SCHEMBL31599423 0.87 GAA (0.49) ASIC3GAAKMT2AMEN1GLA
SCHEMBL7685717 0.85 ADRB1 (0.50) HTR3AHTTDRD2DRD3HTR6
SCHEMBL6603840 0.78 GFER (0.39) ASIC3ALDH1A1GFERSMN1; SMN2DRD2
SCHEMBL6603837 0.78 GFER (0.39) ASIC3ALDH1A1GFERSMN1; SMN2DRD2
SCHEMBL8128498 0.76 MEN1 (0.49) GAAKMT2AMEN1GLAHTR3A
SCHEMBL10061747 0.76 GAA (0.42) ASIC3GAAKMT2AMEN1GLA
SCHEMBL21800281 0.75 ASIC3 (0.78) ASIC3GAAKMT2AMEN1GLA
SCHEMBL21800282 0.75 ASIC3 (0.69) ASIC3GAAHTR3AKDM4EMAPT
SCHEMBL19368347 0.75 EED (0.53) KMT2AMEN1KDM4EALDH1A1

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 8 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
CN-1260781-A Indole derivatives having combined 5HT1A, 5HT1B and 5HT1D receptor antagonist activity SMITHKLINE BEECHAM PLC (GB) 2000-07-19 CN 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-0975593-A1 INDOLE DERIVATIVES HAVING COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2000-02-02 EP disclosed
WO-1998050358-A1 INDOLE DERIVATIVES HAVING COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1998-11-12 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 ASIC3 567/4885GAA 689/4885KMT2A 1602/4885

“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.