SCHEMBL7035600

SCHEMBL7035600

COc1ccc(C(N)=O)cc1N1CCN(CC2CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.49
SLC2A1 P11166 1/20 0.48
SLC2A2 P11168 1/20 0.48
SLC2A3 P11169 1/20 0.48
HTR1D P28221 1/20 0.46
DRD2 P14416 3/20 0.45
HTR2A P28223 2/20 0.45
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
HTR2C P28335 1/20 0.44
MAPK1 P28482 1/20 0.44
HTR1A P08908 1/20 0.44
HTR7 P34969 1/20 0.44
KDM2B Q8NHM5 1/20 0.43
OPRD1 P41143 1/20 0.43

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
SCHEMBL7035501 0.81 ACHE (0.47) DRD2HTR2AHTR2CHTR1AHTR7
SCHEMBL6355486 0.81 CTPS1 (0.58) SLC2A1SLC2A2SLC2A3HTR1DMAPK1
SCHEMBL1397384 0.81 KDM4E (0.63) SLC2A1SLC2A2SLC2A3HTR1DDRD2
Hydrochloric Acid SCHEMBL6353867 0.80 CTPS1 (0.57) SLC2A1SLC2A2SLC2A3HTR1DMAPK1
SCHEMBL7034866 0.80 HTR7 (0.57) SLC2A1SLC2A2SLC2A3DRD2MAPK1
SCHEMBL7413690 0.80 HTR6 (0.51) OPRK1HTR1DDRD2HTR2AADRB1
Hydrochloric Acid SCHEMBL6343776 0.80 KDM4E (0.62) SLC2A1SLC2A2SLC2A3HTR1DDRD2
Hydrochloric Acid SCHEMBL3072094 0.80 KDM4E (0.62) SLC2A1SLC2A2SLC2A3HTR1DDRD2
SCHEMBL13654235 0.78 ALDH1A1 (0.57) MAPK1HTR1A
SCHEMBL2779632 0.77 HTR3A (0.59) SLC2A1SLC2A2SLC2A3HTR1DDRD2

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 5 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-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 OPRK1 1834/4885SLC2A1 2701/4885SLC2A2 2667/4885

“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.