SCHEMBL4030704

SCHEMBL4030704

CS(=O)(=O)c1ccc2c(c1)CCNCC2

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PNMT P11086 5/20 0.81
HTR2C P28335 14/20 0.68
HTR2B P41595 12/20 0.68
ADRA2A P08913 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56

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
Hydrochloric Acid SCHEMBL10350527 0.98 PNMT (0.78) PNMTHTR2CHTR2BADRA2AADRA2B
SCHEMBL10623977 0.95 PNMT (0.73) PNMTHTR2CHTR2BADRA2AADRA2B
SCHEMBL17056235 0.89 PNMT (1.00) PNMTHTR2CHTR2BADRA2AADRA2B
SCHEMBL8112619 0.89 PNMT (0.87) PNMTHTR2CHTR2BADRA2AADRA2B
SCHEMBL30487466 0.89 PNMT (0.87) PNMTHTR2CHTR2BADRA2AADRA2B
Hydrochloric Acid SCHEMBL11483568 0.88 PNMT (0.97) PNMTHTR2CHTR2BADRA2AADRA2B
Hydrochloric Acid SCHEMBL4788258 0.88 PNMT (0.84) PNMTHTR2CHTR2BADRA2AADRA2B
SCHEMBL11948273 0.82 PNMT (0.61) PNMTHTR2CHTR2B
SCHEMBL12828070 0.82 CA12 (0.66) PNMTHTR2CHTR2B
SCHEMBL4767812 0.82 HTR2C (0.64) PNMTHTR2CHTR2BADRA2AADRA2B

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0229510-B1 SULFINYL AND SULFONYL SUBSTITUTED-3-BENZAZEPINES SMITHKLINE BEECHAM CORPORATION (US) 1990-06-06 EP claimed
US-4824839-A Sulfinyl and sulfonyl substituted 2,3,4,5 tetrahydro-1H-3-benzazepines and their use in treating gastrointestinal motility disorders SMITHKLINE BECKMAN CORPORATION (US) 1989-04-25 US claimed
WO-1988007858-A1 SULFINYL AND SULFONYL SUBSTITUTED 3-BENZAZEPINES SMITHKLINE BECKMAN CORPORATION (US) 1988-10-20 WO claimed
EP-0229510-A1 Sulfinyl and sulfonyl substituted-3-benzazepines SMITHKLINE BEECHAM CORPORATION (US) 1987-07-22 EP claimed
EP-1725241-A4 M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-03-25 EP disclosed
US-20090042862-A1 NOVEL COMPOUNDS BEST DESMOND JOHN 2009-02-12 US disclosed
US-7446103-B2 Bicyclic benzamide compound as histamine H3 receptor ligand useful in the treatment of neurological diseases GLAXO GROUP LIMITED (GB) 2008-11-04 US disclosed
US-7429579-B2 Tetrahydrobenzazepine derivatives useful as modulators of dopamine D3 receptors (antipsychotic agents) SMITHKLINE BEECHAM, PLC (GB) 2008-09-30 US disclosed
EP-1335915-B1 TETRAHYDROBENZAZEPINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) SMITHKLINE BEECHAM PLC (GB) 2008-01-02 EP disclosed
US-20070185088-A1 M3 muscarinic acetylchoine receptor antagonists GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-20070105838-A1 Bicyclic Benzamide Compoundssa as Histamine H3 Receptor Ligand Useful in the Treatment of Neurological Diseases GLAXO GROUP LIMITED (GB) 2007-05-10 US disclosed
US-20070027118-A1 Novel compounds of amino sulfonyl derivatives AGOURON PHARMACEUTICALS, INC 2007-02-01 US disclosed
WO-2002040471-A2 TETRAHYDROBENZAZEPINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) SMITHKLINE BEECHAM P.L.C. (GB) 2002-05-23 WO disclosed
EP-1119563-A1 TETRAHYDROBENZAZEPINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) SMITHKLINE BEECHAM PLC (GB) 2001-08-01 EP disclosed
WO-2000021951-A1 TETRAHYDROBENZAZEPINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) SMITHKLINE BEECHAM PLC (GB) 2000-04-20 WO disclosed
US-4824839-A Sulfinyl and sulfonyl substituted 2,3,4,5 tetrahydro-1H-3-benzazepines and their use in treating gastrointestinal motility disorders SMITHKLINE BECKMAN CORPORATION (US) 1989-04-25 US disclosed
US-4824839-A Sulfinyl and sulfonyl substituted 2,3,4,5 tetrahydro-1H-3-benzazepines and their use in treating gastrointestinal motility disorders SMITHKLINE BECKMAN CORPORATION (US) 1989-04-25 US disclosed
WO-1988007858-A1 SULFINYL AND SULFONYL SUBSTITUTED 3-BENZAZEPINES SMITHKLINE BECKMAN CORPORATION (US) 1988-10-20 WO disclosed
WO-1988007858-A1 SULFINYL AND SULFONYL SUBSTITUTED 3-BENZAZEPINES SMITHKLINE BECKMAN CORPORATION (US) 1988-10-20 WO disclosed
EP-0229510-A1 Sulfinyl and sulfonyl substituted-3-benzazepines SMITHKLINE BEECHAM CORPORATION (US) 1987-07-22 EP 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 (4 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-20070105838-A1 Bicyclic Benzamide Compoundssa as Histamine H3 Receptor Ligand Useful in the Treatment of Neurological Diseases HRH3, HRH4, HRH1 PNMT 380/4885HTR2C 39/4885HTR2B 22/4885
US-20090042862-A1 NOVEL COMPOUNDS GRIN2C, GRIN2A, GRIN2B PNMT 98/4885HTR2C 24/4885HTR2B 21/4885
US-20070027118-A1 Novel compounds of amino sulfonyl derivatives HSD11B1, HSD11B2, HSD17B11 PNMT 2750/4885HTR2C 499/4885HTR2B 443/4885
US-20070185088-A1 M3 muscarinic acetylchoine receptor antagonists CHRM3, CHRM2, CHRM5 PNMT 275/4885HTR2C 271/4885HTR2B 585/4885

“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.