SCHEMBL4877890

SCHEMBL4877890

Cc1cnc(-c2nnc(S)n2C)cn1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 4/20 0.34
KCNH2 Q12809 3/20 0.34
HRH1 P35367 2/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
DRD2 P14416 1/20 0.32
P2RX7 Q99572 1/20 0.30

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
SCHEMBL4701736 0.76 RAB9A (0.49) MAPTTSHRP2RX7
SCHEMBL17712973 0.76 SIRT6 (0.41) TSHR
SCHEMBL1996596 0.75 ALDH1A1 (0.46) DRD3KCNH2HRH1MAPTTSHR
SCHEMBL4180327 0.74 KDM4E (0.33)
SCHEMBL19612589 0.73 HPGDS (0.39) DRD3KCNH2DRD2
SCHEMBL17725124 0.73 CYP11B1 (0.32)
SCHEMBL2004127 0.73 DRD3 (0.32) DRD3KCNH2HRH1DRD2
SCHEMBL17712734 0.71 ALDH1A1 (0.44) KCNH2
SCHEMBL27818911 0.70 DRD3 (0.33) DRD3KCNH2HRH1DRD2
SCHEMBL10021907 0.70 CCR1 (0.41)

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3212637-B1 DOPAMINE D3 RECEPTOR ANTAGONISTS COMPOUNDS INDIVIOR UK LTD (GB) 2021-06-02 EP disclosed
EP-3212637-B1 DOPAMINE D3 RECEPTOR ANTAGONISTS COMPOUNDS INDIVIOR UK LTD (GB) 2021-06-02 EP disclosed
US-10654842-B2 Dopamine D3 receptor antagonist compounds INDIVIOR UK LIMITED (GB) 2020-05-19 US disclosed
US-10654842-B2 Dopamine D3 receptor antagonist compounds INDIVIOR UK LIMITED (GB) 2020-05-19 US disclosed
US-20190300514-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS INDIVIOR INC. 2019-10-03 US disclosed
US-20190300514-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS INDIVIOR INC. 2019-10-03 US disclosed
US-10239870-B2 Dopamine D3 receptor antagonists INDIVIOR UK LIMITED (GB) 2019-03-26 US disclosed
US-10239870-B2 Dopamine D3 receptor antagonists INDIVIOR UK LIMITED (GB) 2019-03-26 US disclosed
US-20180282318-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS INDIVIOR UK LIMITED (GB) 2018-10-04 US disclosed
US-10000477-B2 Dopamine D3 receptor antagonist compounds INDIVIOR UK LIMITED (GB) 2018-06-19 US disclosed
US-10000477-B2 Dopamine D3 receptor antagonist compounds INDIVIOR UK LIMITED (GB) 2018-06-19 US disclosed
US-20170334895-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS INDIVIOR INC. 2017-11-23 US disclosed
US-20170334895-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS INDIVIOR INC. 2017-11-23 US disclosed
US-20170334895-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS INDIVIOR INC. 2017-11-23 US disclosed
WO-2016067043-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS COMPOUNDS INDIVIOR UK LIMITED (GB) 2016-05-06 WO 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
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 (7 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-20180282318-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS DRD3, DRD2, DRD4 DRD3 1/4885KCNH2 1476/4885HRH1 1067/4885
US-10000477-B2 Dopamine D3 receptor antagonist compounds DRD3, DRD2, DRD4 DRD3 1/4885KCNH2 1283/4885HRH1 1056/4885
US-10654842-B2 Dopamine D3 receptor antagonist compounds DRD3, DRD2, DRD4 DRD3 1/4885KCNH2 1283/4885HRH1 1056/4885
US-20080139532-A1 Tetrahydrobenzazepine Derivatives as Modulators of Dopamine D3 Receptors (Antipsychotic Agents) DRD3, DRD2, SLC6A3 DRD3 1/4885KCNH2 399/4885HRH1 672/4885
US-20190300514-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS DRD3, DRD2, DRD4 DRD3 1/4885KCNH2 1283/4885HRH1 1056/4885
US-20170334895-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS DRD3, DRD2, DRD4 DRD3 1/4885KCNH2 1283/4885HRH1 1056/4885
US-10239870-B2 Dopamine D3 receptor antagonists DRD3, DRD2, DRD4 DRD3 1/4885KCNH2 1476/4885HRH1 1067/4885

“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.