SCHEMBL4765610

SCHEMBL4765610

Cc1cnc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)o1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.49
NR1H2 P55055 1/20 0.48
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GPR119 Q8TDV5 8/20 0.42
DRD2 P14416 4/20 0.41
DRD3 P35462 4/20 0.41
KCNH2 Q12809 2/20 0.41
USP30 Q70CQ3 1/20 0.41
GRM5 P41594 1/20 0.39
RET P07949 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39

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 0.79 ESR2 (0.50) ESR2NR1H2NPC1RAB9AGPR119
SCHEMBL5453239 0.77 ESR2 (0.55) ESR2NR1H2NPC1RAB9AGPR119
SCHEMBL4763630 0.77 ESR2 (0.50) ESR2NR1H2NPC1RAB9AGPR119
SCHEMBL5467960 0.77 ESR2 (0.68) ESR2NR1H2NPC1RAB9AGPR119
SCHEMBL4565400 0.76 GPR119 (0.59) ESR2NR1H2NPC1RAB9AGPR119
SCHEMBL7868104 0.76 ESR2 (0.63) ESR2NR1H2NPC1RAB9AGPR119
SCHEMBL2117576 0.75 ESR2 (0.48) ESR2NR1H2NPC1RAB9AGPR119
SCHEMBL2115820 0.75 GPR119 (0.57) ESR2NR1H2NPC1RAB9AGPR119
SCHEMBL25574615 0.74 ESR2 (0.58) ESR2NR1H2GPR119USP30
SCHEMBL4105066 0.74 P2RY12 (0.58) NR1H2GPR119RETCKS1BSKP1

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 4 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
WO-2002040471-A9 TETRAHYDROBENZAZEPINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) SMITHKLINE BEECHAM PLC (GB) 2003-07-31 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 ESR2 698/4885NR1H2 204/4885NPC1 1724/4885

“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.