SCHEMBL6180288

SCHEMBL6180288

CCCc1cc(N2CCN(CCCSc3nnc(C)n3C)CC2)nc(C(C)(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 20/20 0.43
DRD2 P14416 18/20 0.43
KCNH2 Q12809 3/20 0.42
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
HRH2 P25021 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
ADRA1B P35368 1/20 0.38
HTR2B P41595 1/20 0.38

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 SCHEMBL388305 0.99 DRD3 (0.42) DRD3DRD2KCNH2HTR1AADRA2A
Hydrochloric Acid SCHEMBL391894 0.89 DRD3 (0.42) DRD3DRD2KCNH2
Hydrochloric Acid SCHEMBL392562 0.87 DRD2 (0.46) DRD3DRD2KCNH2
SCHEMBL391664 0.86 DRD2 (0.51) DRD3DRD2
Hydrochloric Acid SCHEMBL392747 0.86 DRD2 (0.40) DRD3DRD2KCNH2HTR1AADRA2A
SCHEMBL4388933 0.86 DRD3 (0.49) DRD3DRD2KCNH2HTR1AADRA2A
Hydrochloric Acid SCHEMBL392430 0.85 DRD2 (0.51) DRD3DRD2
SCHEMBL6180400 0.85 DRD2 (0.43) DRD3DRD2
Hydrochloric Acid SCHEMBL4530989 0.85 DRD3 (0.49) DRD3DRD2KCNH2HTR1AADRA2A
SCHEMBL4397426 0.84 DRD3 (0.47) DRD3DRD2KCNH2HTR1AADRA2A

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
EP-1484330-B1 Triazole compouds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO KG (DE) 2005-10-26 EP disclosed
US-6919342-B2 Triazole compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2005-07-19 US disclosed
US-20040259882-A1 Triazole compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-12-23 US disclosed
EP-1484330-A1 Triazole compouds suitable for treating disorders that respond to modulation of the dopamine D3 receptor Abbott GmbH & Co. KG (DE) 2004-12-08 EP 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-20040259882-A1 Triazole compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor DRD3, SLC6A3, DRD2 DRD3 1/4885DRD2 3/4885KCNH2 455/4885

“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.