SCHEMBL7035501

SCHEMBL7035501

COc1ccc(N)cc1N1CCN(CC2CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.47
HTR4 Q13639 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
DRD2 P14416 7/20 0.46
HTR2A P28223 5/20 0.46
DRD4 P21917 2/20 0.46
HTR2C P28335 5/20 0.46
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 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
SCHEMBL7035600 0.81 OPRK1 (0.49) DRD2HTR2AHTR2CHTR1AHTR7
SCHEMBL24170260 0.81 DRD2 (0.65) KDM4EALDH1A1LMNAMAPTDRD2
SCHEMBL13648739 0.80 DRD2 (0.65) DRD2HTR2ADRD4HTR2CHTR1A
SCHEMBL1813295 0.79 MAPT (0.67) KDM4EALDH1A1LMNAMAPTDRD2
Ammonia Solution, Strong SCHEMBL2320933 0.79 DRD2 (0.64) DRD2HTR2ADRD4HTR2CHTR1A
SCHEMBL6355490 0.79 ALDH1A1 (0.60) KDM4EALDH1A1LMNAMAPTDRD2
SCHEMBL1397389 0.78 DRD2 (0.60) HTR4KDM4EALDH1A1LMNAMAPT
SCHEMBL13698528 0.78 DRD2 (0.59) KDM4EALDH1A1LMNAMAPTDRD2
SCHEMBL14320628 0.78 MAPT (0.59) KDM4EALDH1A1LMNAMAPTDRD2
SCHEMBL7031376 0.77 DRD4 (0.60) KDM4EALDH1A1LMNADRD2DRD4

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
US-6423717-B1 NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-23 US claimed
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 ACHE 5/4885HTR4 1360/4885KDM4E 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.