SCHEMBL4565400

SCHEMBL4565400

Cc1nc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)no1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.59
HDAC4 P56524 3/20 0.51
ESR2 Q92731 1/20 0.49
NR1H2 P55055 1/20 0.48
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SCD5 Q86SK9 1/20 0.42
DRD3 P35462 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PKM P14618 1/20 0.42
POLB P06746 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
SCHEMBL4039261 0.81 ESR2 (0.50) GPR119HDAC4ESR2NR1H2NPC1
SCHEMBL7653912 0.81 HDAC4 (0.74) GPR119HDAC4JAK2JAK1SCD5
SCHEMBL19746839 0.81 HDAC4 (0.64) HDAC4ESR2NR1H2HDAC6
SCHEMBL2122111 0.80 S1PR1 (0.54) GPR119HDAC4ESR2
SCHEMBL8221031 0.80 GPR119 (0.56) GPR119HDAC4MAPTHDAC6POLB
SCHEMBL4422414 0.80 GPR119 (0.67) GPR119HDAC4JAK2JAK1MAPT
SCHEMBL2123118 0.79 S1PR1 (0.53) GPR119HDAC4
SCHEMBL13012400 0.79 S1PR1 (0.51) NR1H2JAK2
SCHEMBL2997333 0.79 S1PR1 (0.69)
SCHEMBL10455634 0.79 S1PR1 (0.45) GPR119HDAC4ESR2MAPT

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 12 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

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 GPR119 391/4885HDAC4 1083/4885ESR2 698/4885
US-20070185088-A1 M3 muscarinic acetylchoine receptor antagonists CHRM3, CHRM2, CHRM5 GPR119 620/4885HDAC4 2106/4885ESR2 1164/4885

“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.