SCHEMBL4770064

SCHEMBL4770064

O=S(=O)(c1ccc2c(c1)CCNCC2)N1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 15/20 1.00
HTR2B P41595 5/20 1.00
KCNH2 Q12809 6/20 0.58
HTR2A P28223 1/20 0.58
USP2 O75604 1/20 0.53
GAA P10253 1/20 0.52

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
SCHEMBL4386970 0.90 HTR2C (0.84) HTR2CHTR2BKCNH2HTR2AUSP2
SCHEMBL4792399 0.87 HTR2C (1.00) HTR2CHTR2BKCNH2HTR2AGAA
SCHEMBL8103831 0.85 HTR2C (0.74) HTR2CHTR2BKCNH2HTR2A
Hydrochloric Acid SCHEMBL9780247 0.80 HTR2C (0.66) HTR2CHTR2BKCNH2HTR2A
SCHEMBL3879315 0.80 HTR2C (0.66) HTR2CHTR2B
SCHEMBL1156335 0.79 HTR2C (0.68) HTR2CHTR2BUSP2GAA
SCHEMBL31130054 0.79 HTR2C (0.68) HTR2CHTR2BUSP2GAA
SCHEMBL3876586 0.79 HTR2C (0.85) HTR2CHTR2BGAA
Hydrochloric Acid SCHEMBL9780252 0.77 HTR2C (0.62) HTR2CHTR2BKCNH2HTR2AGAA
SCHEMBL30555216 0.76 HTR2C (0.61) HTR2CHTR2BKCNH2HTR2AGAA

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-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-20040171606-A1 Tetrahydrobenzazepine derivatives useful as modulators of dopamine d3 receptors (antipsychotic agents) SMITHKLINE BEECHAM PLC (GB) 2004-09-02 US disclosed
EP-1335915-A2 TETRAHYDROBENZAZEPINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) SMITHKLINE BEECHAM PLC (GB) 2003-08-20 EP disclosed
WO-2002040471-A9 TETRAHYDROBENZAZEPINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) SMITHKLINE BEECHAM PLC (GB) 2003-07-31 WO 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

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-20040171606-A1 Tetrahydrobenzazepine derivatives useful as modulators of dopamine d3 receptors (antipsychotic agents) DRD3, DRD2, DRD1 HTR2C 52/4885HTR2B 85/4885KCNH2 272/4885

“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.