SCHEMBL2289636

SCHEMBL2289636

Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(-c4ocnc4C)n2C)CC3)n(C)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 20/20 1.00
KCNH2 Q12809 20/20 1.00
DRD2 P14416 3/20 0.70
HRH1 P35367 5/20 0.67
CHRM2 P08172 1/20 0.65
CHRM4 P08173 1/20 0.65
CHRM5 P08912 1/20 0.65
CHRM1 P11229 1/20 0.65
CHRM3 P20309 1/20 0.65
HTR1D P28221 1/20 0.65

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 SCHEMBL2285644 0.99 DRD3 (0.98) DRD3KCNH2DRD2HRH1CHRM2
SCHEMBL2289450 0.85 DRD3 (0.74) DRD3KCNH2HRH1
Hydrochloric Acid SCHEMBL2289612 0.85 DRD3 (0.73) DRD3KCNH2HRH1
SCHEMBL2308780 0.84 DRD3 (1.00) DRD3KCNH2HRH1
Hydrochloric Acid SCHEMBL2326283 0.83 DRD3 (0.98) DRD3KCNH2HRH1
SCHEMBL2284996 0.83 DRD3 (1.00) DRD3KCNH2DRD2HRH1CHRM2
SCHEMBL4879172 0.83 KCNH2 (1.00) DRD3KCNH2DRD2HRH1
Hydrochloric Acid SCHEMBL2286112 0.82 DRD3 (0.98) DRD3KCNH2DRD2HRH1CHRM2
SCHEMBL2285872 0.82 DRD3 (1.00) DRD3KCNH2DRD2HRH1CHRM2
Hydrochloric Acid SCHEMBL2285597 0.82 DRD3 (0.98) DRD3KCNH2DRD2HRH1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003638-B2 7-pyrazolylbenzazepines having affinity for D3 receptor GLAXO GROUP LIMITED (GB) 2011-08-23 US claimed
US-20080312213-A1 7-Pyrazolylbenzazepines Having Affinity For D3 Receptor GLAXO GROUP LIMITED (GB) 2008-12-18 US claimed
US-8003638-B2 7-pyrazolylbenzazepines having affinity for D3 receptor GLAXO GROUP LIMITED (GB) 2011-08-23 US disclosed
US-8003638-B2 7-pyrazolylbenzazepines having affinity for D3 receptor GLAXO GROUP LIMITED (GB) 2011-08-23 US disclosed
US-8003638-B2 7-pyrazolylbenzazepines having affinity for D3 receptor GLAXO GROUP LIMITED (GB) 2011-08-23 US disclosed
US-20080312213-A1 7-Pyrazolylbenzazepines Having Affinity For D3 Receptor GLAXO GROUP LIMITED (GB) 2008-12-18 US disclosed
US-20080312213-A1 7-Pyrazolylbenzazepines Having Affinity For D3 Receptor GLAXO GROUP LIMITED (GB) 2008-12-18 US disclosed
US-20080312213-A1 7-Pyrazolylbenzazepines Having Affinity For D3 Receptor GLAXO GROUP LIMITED (GB) 2008-12-18 US 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-20080312213-A1 7-Pyrazolylbenzazepines Having Affinity For D3 Receptor DRD3, HTR3C, GRIN3A DRD3 1/4885KCNH2 162/4885DRD2 8/4885

“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.