SCHEMBL2310787

SCHEMBL2310787

CCc1nn(C)c2cc3c(cc12)CCN(CCCSc1nnc(-c2cccc4nc(C)ccc24)n1C)CC3

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 18/20 1.00
HRH1 P35367 7/20 1.00
DRD2 P14416 3/20 1.00
CHRM2 P08172 1/20 0.69
CHRM4 P08173 1/20 0.69
CHRM5 P08912 1/20 0.69
CHRM1 P11229 1/20 0.69
CHRM3 P20309 1/20 0.69
HTR1D P28221 1/20 0.69

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 SCHEMBL2324239 0.99 DRD3 (0.98) DRD3KCNH2HRH1DRD2CHRM2
SCHEMBL2307061 0.86 DRD3 (1.00) DRD3KCNH2HRH1DRD2
Hydrochloric Acid SCHEMBL2320905 0.85 DRD3 (0.98) DRD3KCNH2HRH1DRD2
SCHEMBL2307625 0.82 DRD3 (1.00) DRD3KCNH2HRH1
SCHEMBL2312933 0.82 DRD3 (1.00) DRD3KCNH2HRH1DRD2CHRM2
SCHEMBL2308829 0.82 DRD3 (1.00) DRD3KCNH2HRH1
SCHEMBL2287102 0.82 DRD3 (1.00) DRD3KCNH2HRH1DRD2CHRM2
Hydrochloric Acid SCHEMBL2313983 0.82 DRD3 (0.98) DRD3KCNH2HRH1
SCHEMBL2311853 0.82 DRD3 (1.00) DRD3KCNH2HRH1DRD2
SCHEMBL2316059 0.81 DRD3 (1.00) DRD3KCNH2HRH1

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
EP-1751163-B1 BENZAZEPINE COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF GLAXO GROUP LTD (GB) 2011-08-10 EP claimed
EP-1751163-B1 BENZAZEPINE COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF GLAXO GROUP LTD (GB) 2011-08-10 EP disclosed
US-7989444-B2 Compounds having affinity for dopamine D3 receptor and uses thereof GLAXO GROUP LIMITED (GB) 2011-08-02 US disclosed
US-7989444-B2 Compounds having affinity for dopamine D3 receptor and uses thereof GLAXO GROUP LIMITED (GB) 2011-08-02 US disclosed
US-7989444-B2 Compounds having affinity for dopamine D3 receptor and uses thereof GLAXO GROUP LIMITED (GB) 2011-08-02 US disclosed
US-20100016287-A1 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF\ GLAXO GROUP LIMITED (GB) 2010-01-21 US disclosed
US-20100016287-A1 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF\ GLAXO GROUP LIMITED (GB) 2010-01-21 US disclosed
US-20100016287-A1 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF\ GLAXO GROUP LIMITED (GB) 2010-01-21 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-20100016287-A1 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF\ DRD3, DRD2, SLC6A3 DRD3 1/4885KCNH2 856/4885HRH1 879/4885

“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.