SCHEMBL6179577

SCHEMBL6179577

Cc1nnc(SCCCN2CCN(c3cc(C(C)(C)C)nc(C(C)(C)C)n3)CC2)n1C.O=S(=O)(O)c1ccccc1

nearest known ligand 0.54

Known targets — ChEMBL curated mechanism

BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DRD2 known ✓ P14416 20/20 0.54
DRD3 P35462 20/20 0.54

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
Sulfuric Acid SCHEMBL6181704 0.93 DRD2 (0.49) DRD2DRD3
SCHEMBL391664 0.90 DRD2 (0.51) DRD2DRD3
Hydrochloric Acid SCHEMBL392430 0.89 DRD2 (0.51) DRD2DRD3
Phosphoric Acid SCHEMBL6181271 0.88 DRD2 (0.49) DRD2DRD3
Phosphoric Acid SCHEMBL6181605 0.88 DRD2 (0.49) DRD2DRD3
Hydrochloric Acid SCHEMBL391075 0.85 DRD3 (0.59) DRD2DRD3
SCHEMBL6179407 0.83 DRD2 (0.60) DRD2DRD3
Hydrochloric Acid SCHEMBL388283 0.83 DRD2 (0.59) DRD2DRD3
SCHEMBL7452459 0.80 DRD3 (0.59) DRD2DRD3
Hydrochloric Acid SCHEMBL393251 0.79 DRD3 (0.58) DRD2DRD3

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 5 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
WO-2004108706-A1 TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2004-12-16 WO 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 DRD2 3/4885DRD3 1/4885

“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.