SCHEMBL6978822

SCHEMBL6978822

COc1c(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc(Br)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 19/20 1.00
DRD4 P21917 2/20 1.00
DRD2 P14416 12/20 0.90
SIGMAR1 Q99720 1/20 0.90

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
SCHEMBL8286906 0.95 DRD2 (1.00) DRD3DRD4DRD2SIGMAR1
SCHEMBL6985952 0.95 DRD3 (1.00) DRD3DRD4DRD2SIGMAR1
SCHEMBL6982595 0.92 DRD3 (1.00) DRD3DRD4DRD2SIGMAR1
SCHEMBL6984294 0.87 DRD3 (1.00) DRD3DRD4DRD2
SCHEMBL6984226 0.87 DRD3 (1.00) DRD3DRD4DRD2
SCHEMBL6985049 0.87 DRD3 (1.00) DRD3DRD4DRD2SIGMAR1
SCHEMBL13637989 0.86 DRD2 (0.84) DRD3DRD4DRD2SIGMAR1
SCHEMBL6981463 0.86 DRD3 (1.00) DRD3DRD4DRD2SIGMAR1
SCHEMBL6985375 0.85 DRD3 (1.00) DRD3DRD4DRD2
SCHEMBL6986108 0.84 DRD3 (1.00) DRD3DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0751939-B9 NAPHTHYLAMIDES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER LAMBERT CO (US) 2003-01-02 EP claimed
EP-0751939-B1 NAPHTHYLAMIDES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER LAMBERT CO (US) 2002-06-12 EP claimed
EP-0751939-A1 NAPHTHYLAMIDES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1997-01-08 EP claimed
WO-1995025727-A1 NAPHTHYLAMIDES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1995-09-28 WO claimed
US-5395835-A Antipsychotic agents WARNER-LAMBERT COMPANY (US) 1995-03-07 US claimed
EP-0751939-B9 NAPHTHYLAMIDES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER LAMBERT CO (US) 2003-01-02 EP disclosed
US-20020156050-A1 Carboxamine compounds, methods and compositions for inhibiting PARP activity GUILFORD PHARMACEUTICALS INC. 2002-10-24 US disclosed
EP-0751939-B1 NAPHTHYLAMIDES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER LAMBERT CO (US) 2002-06-12 EP disclosed
US-6395749-B1 Carboxamide compounds, methods, and compositions for inhibiting PARP activity GUILFORD PHARMACEUTICALS INC. 2002-05-28 US disclosed
EP-0751939-A1 NAPHTHYLAMIDES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1997-01-08 EP disclosed
WO-1995025727-A1 NAPHTHYLAMIDES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1995-09-28 WO disclosed
US-5395835-A Antipsychotic agents WARNER-LAMBERT COMPANY (US) 1995-03-07 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-20020156050-A1 Carboxamine compounds, methods and compositions for inhibiting PARP activity PARP1, PARP3, PARP4 DRD3 1715/4885DRD4 1437/4885DRD2 2110/4885

“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.