SCHEMBL7036348

SCHEMBL7036348

COc1ccc(C(N)=O)cc1OCC1CCCN1C

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 5/20 0.70
CHRNA3 P32297 5/20 0.70
MCHR1 Q99705 2/20 0.57
MAPK1 P28482 1/20 0.50
EHMT2 Q96KQ7 1/20 0.49
CHRNB2 P17787 4/20 0.49
CHRNA4 P43681 4/20 0.49
CHRNA7 P36544 3/20 0.49
CHRNA5 P30532 2/20 0.49
MAP2K1 Q02750 1/20 0.48

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
SCHEMBL7036352 0.83 CHRNB4 (0.73) CHRNB4CHRNA3EHMT2CHRNB2CHRNA4
SCHEMBL4269812 0.79 PDE4B (0.62) MAPK1
SCHEMBL8795514 0.78 CHRNB4 (0.66) CHRNB4CHRNA3MCHR1CHRNB2CHRNA4
SCHEMBL8795523 0.78 CHRNB4 (0.66) CHRNB4CHRNA3MCHR1CHRNB2CHRNA4
SCHEMBL5090042 0.78 PARP15 (0.62) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL12409070 0.78 CHRNB4 (0.69) CHRNB4CHRNA3MCHR1EHMT2CHRNB2
SCHEMBL32691730 0.77 CHRNB4 (0.62) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL32691652 0.77 CHRNB4 (0.67) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL10196599 0.76 CHRNB4 (0.71) CHRNB4CHRNA3MCHR1CHRNB2CHRNA4
SCHEMBL6944744 0.76 MAPK1 (0.63) MAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030069233-A1 Sulphonamide derivatives, process for their preparation, and their use as medicaments SMITHKLINE BEECHAM P.L.C. 2003-04-10 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

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 CHRNB4 1753/4885CHRNA3 2095/4885MCHR1 3587/4885

“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.