SCHEMBL4770231

SCHEMBL4770231

O=S(=O)(c1ccc2c(c1)CCN(CCCCl)CC2)N1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 4/20 0.48
ALDH1A1 P00352 4/20 0.48
PNMT P11086 1/20 0.47
NPC1 O15118 1/20 0.47
MITF O75030 1/20 0.47
RAB9A P51151 1/20 0.47
HTT P42858 1/20 0.47
BRD4 O60885 1/20 0.46
BRD2 P25440 1/20 0.46
BRD3 Q15059 1/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL4387090 0.93 HTR2C (0.55) HTR2CL3MBTL1GAAALDH1A1PNMT
SCHEMBL5098547 0.89 HTR2C (0.58) HTR2CGAAALDH1A1NPC1MITF
SCHEMBL4792242 0.80 HRH3 (0.48) PNMT
SCHEMBL4790927 0.79 HRH3 (0.47) HTR2C
SCHEMBL4773893 0.77 HTR2C (0.53) HTR2CALDH1A1KDM4EKMT2ATSHR
SCHEMBL4792399 0.76 HTR2C (1.00) HTR2CGAAALDH1A1PNMTPOLB
SCHEMBL4765964 0.74 HTR2C (0.64) HTR2CL3MBTL1GAAALDH1A1KDM4E
SCHEMBL3876586 0.71 HTR2C (0.85) HTR2CGAAALDH1A1PNMTPOLB
SCHEMBL4771909 0.70 HRH3 (0.55)
SCHEMBL4394801 0.70 ALDH1A1 (0.60) HTR2CL3MBTL1GAAALDH1A1BRD4

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 52/4885L3MBTL1 3141/4885GAA 4588/4885

“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.