SCHEMBL6325110

SCHEMBL6325110

N#Cc1ccc(-c2cccc(S(=O)(=O)c3ccc4c(c3)CCNCC4)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.61
HTR2B P41595 9/20 0.61
MLNR O43193 4/20 0.53
PNMT P11086 2/20 0.52
DRD2 P14416 3/20 0.45
DRD3 P35462 3/20 0.45
HTR2A P28223 1/20 0.45
HTR6 P50406 1/20 0.45
CYP2D6 P10635 2/20 0.43
PTGES2 Q9H7Z7 1/20 0.43
KAT6A Q92794 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
SCHEMBL5458702 0.80 DRD2 (0.59) HTR2CHTR2BMLNRPNMTDRD2
SCHEMBL5455774 0.77 HTR2C (1.00) HTR2CHTR2BPNMTHTR6
SCHEMBL6324611 0.77 GPR119 (0.46) HTR2CDRD2DRD3HTR2AHTR6
SCHEMBL4033305 0.70 PNMT (0.79) HTR2CHTR2BMLNRPNMTDRD2
SCHEMBL6330764 0.70 HTR2C (0.68) HTR2CHTR2BPNMTHTR6
SCHEMBL6331549 0.69 HTR2C (0.68) HTR2CHTR2BPNMTHTR6
SCHEMBL5944522 0.69 PNMT (1.00) HTR2CHTR2BPNMTHTR6
Hydrochloric Acid SCHEMBL21753256 0.69 PNMT (0.76) HTR2CHTR2BMLNRPNMTDRD2
Hydrochloric Acid SCHEMBL6330901 0.68 HTR2C (0.66) HTR2CHTR2BPNMTHTR6
Hydrochloric Acid SCHEMBL5944489 0.68 PNMT (0.97) HTR2CHTR2BPNMTHTR6

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-20050176759-A1 7-sulfonyl-3-benzazepine derivatives as modulators of the dopamine receptor and their use for the treatment cns disorders SMITHKLINE BEECHAM P.L.C. (GB) 2005-08-11 US claimed
EP-1456178-A1 7-SULFONYL-3-BENZAZEPINE DERIVATIVES AS MODULATORS OF THE DOPAMINE RECEPTOR AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 2004-09-15 EP claimed
WO-2003062205-A1 7-SULFONYL-3-BENZAZEPINE DERIVATIVES AS MODULATORS OF THE DOPAMINE RECEPTOR AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-31 WO claimed
US-20050176759-A1 7-sulfonyl-3-benzazepine derivatives as modulators of the dopamine receptor and their use for the treatment cns disorders SMITHKLINE BEECHAM P.L.C. (GB) 2005-08-11 US disclosed
EP-1456178-A1 7-SULFONYL-3-BENZAZEPINE DERIVATIVES AS MODULATORS OF THE DOPAMINE RECEPTOR AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 2004-09-15 EP disclosed
WO-2003062205-A1 7-SULFONYL-3-BENZAZEPINE DERIVATIVES AS MODULATORS OF THE DOPAMINE RECEPTOR AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-31 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-20050176759-A1 7-sulfonyl-3-benzazepine derivatives as modulators of the dopamine receptor and their use for the treatment cns disorders MPL, HTR2B, PDGFRB HTR2C 49/4885HTR2B 2/4885MLNR 187/4885

“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.