SCHEMBL4872386

SCHEMBL4872386

Cc1ccc2c(-c3nnc(SCCN4CCc5ccc(-c6cc(C)on6)cc5CC4)n3C)cccc2n1

nearest known ligand 0.91

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 20/20 0.91
KCNH2 Q12809 19/20 0.91
DRD2 P14416 12/20 0.91
HRH1 P35367 3/20 0.66
CHRM2 P08172 1/20 0.66
CHRM4 P08173 1/20 0.66
CHRM5 P08912 1/20 0.66
CHRM1 P11229 1/20 0.66
CHRM3 P20309 1/20 0.66
HTR1D P28221 1/20 0.66

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
Hydrochloric Acid SCHEMBL4879589 0.99 DRD3 (0.90) DRD3KCNH2DRD2HRH1CHRM2
SCHEMBL5105103 0.95 DRD3 (1.00) DRD3KCNH2DRD2HRH1CHRM2
SCHEMBL4879674 0.86 DRD3 (0.91) DRD3KCNH2DRD2
Hydrochloric Acid SCHEMBL4879731 0.86 DRD3 (0.89) DRD3KCNH2DRD2
SCHEMBL5104634 0.84 DRD3 (0.81) DRD3KCNH2DRD2HRH1CHRM2
SCHEMBL4879822 0.84 DRD3 (1.00) DRD3KCNH2DRD2HRH1CHRM2
SCHEMBL5110639 0.84 DRD3 (0.80) DRD3KCNH2DRD2
Hydrochloric Acid SCHEMBL4881579 0.83 DRD3 (0.98) DRD3KCNH2DRD2HRH1CHRM2
SCHEMBL14162802 0.83 DRD3 (0.72) DRD3KCNH2DRD2
SCHEMBL5098335 0.82 DRD3 (1.00) DRD3KCNH2DRD2

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-20080139532-A1 Tetrahydrobenzazepine Derivatives as Modulators of Dopamine D3 Receptors (Antipsychotic Agents) GLAXO GROUP LIMITED (GB) 2008-06-12 US claimed
US-20080139532-A1 Tetrahydrobenzazepine Derivatives as Modulators of Dopamine D3 Receptors (Antipsychotic Agents) GLAXO GROUP LIMITED (GB) 2008-06-12 US disclosed
US-20080139532-A1 Tetrahydrobenzazepine Derivatives as Modulators of Dopamine D3 Receptors (Antipsychotic Agents) GLAXO GROUP LIMITED (GB) 2008-06-12 US disclosed
US-20080139532-A1 Tetrahydrobenzazepine Derivatives as Modulators of Dopamine D3 Receptors (Antipsychotic Agents) GLAXO GROUP LIMITED (GB) 2008-06-12 US disclosed
EP-1737851-A1 TETRAHYDROBENZAZEPINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) GLAXO GROUP LIMITED (GB) 2007-01-03 EP disclosed
WO-2005087764-A1 TETRAHYDROBENZAZEPINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) GLAXO GROUP LIMITED (GB) 2005-09-22 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-20080139532-A1 Tetrahydrobenzazepine Derivatives as Modulators of Dopamine D3 Receptors (Antipsychotic Agents) DRD3, DRD2, SLC6A3 DRD3 1/4885KCNH2 399/4885DRD2 2/4885

“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.