SCHEMBL4039261

SCHEMBL4039261

Cc1cc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)no1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.50
NR1H2 P55055 1/20 0.49
DRD3 P35462 8/20 0.46
KCNH2 Q12809 8/20 0.46
DRD2 P14416 7/20 0.46
PKM P14618 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SCD5 Q86SK9 1/20 0.43
USP30 Q70CQ3 2/20 0.43
GPR119 Q8TDV5 1/20 0.43
HDAC4 P56524 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
SCHEMBL4768506 0.83 DRD3 (0.50) ESR2DRD3KCNH2DRD2
SCHEMBL4565400 0.81 GPR119 (0.59) ESR2NR1H2DRD3PKMNPC1
SCHEMBL4765610 0.79 ESR2 (0.49) ESR2NR1H2DRD3KCNH2DRD2
SCHEMBL5453239 0.78 ESR2 (0.55) ESR2NR1H2NPC1RAB9AUSP30
SCHEMBL4763630 0.78 ESR2 (0.50) ESR2NR1H2NPC1RAB9AGPR119
SCHEMBL25574615 0.78 ESR2 (0.58) ESR2NR1H2USP30GPR119HDAC4
SCHEMBL5467960 0.77 ESR2 (0.68) ESR2NR1H2NPC1RAB9AGPR119
SCHEMBL7868104 0.77 ESR2 (0.63) ESR2NR1H2NPC1RAB9AGPR119
SCHEMBL5661929 0.76 GPR119 (0.54) ESR2NR1H2PKMNPC1RAB9A
SCHEMBL1263942 0.76 ESR2 (0.61) ESR2NR1H2NPC1RAB9AUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725241-A4 M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-03-25 EP 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
EP-1725241-A1 M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-11-29 EP disclosed
EP-1119563-B1 TETRAHYDROBENZAZEPINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) SMITHKLINE BEECHAM PLC (GB) 2006-02-01 EP disclosed
WO-2005094835-A1 M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-10-13 WO 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
US-6605607-B1 Antihypertensives; hyperprolactinaemia related conditions; certain central nervous system disorders SMITHKLINE BEECHAM P.L.C. (GB) 2003-08-12 US 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 ESR2 698/4885NR1H2 204/4885DRD3 1/4885
US-20070185088-A1 M3 muscarinic acetylchoine receptor antagonists CHRM3, CHRM2, CHRM5 ESR2 1164/4885NR1H2 233/4885DRD3 665/4885

“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.