SCHEMBL4760902

SCHEMBL4760902

c1ccc(CCNCc2cccc(COc3nn4c(-c5ccccc5)nnc4c4ccccc34)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 16/20 1.00
GABRA1 P14867 4/20 0.67
GABRG2 P18507 4/20 0.67
GABRB3 P28472 4/20 0.67
GABRA3 P34903 4/20 0.67
GABRA5 P31644 3/20 0.67
GABRA2 P47869 3/20 0.67

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
SCHEMBL5529384 0.90 CACNA2D1 (0.82) CACNA2D1
SCHEMBL5530122 0.90 CACNA2D1 (1.00) CACNA2D1GABRA1GABRG2GABRB3GABRA3
SCHEMBL8292331 0.88 CACNA2D1 (0.79) CACNA2D1
SCHEMBL4824459 0.86 CACNA2D1 (1.00) CACNA2D1
SCHEMBL5532572 0.86 CACNA2D1 (1.00) CACNA2D1GABRA1GABRG2GABRB3GABRA3
SCHEMBL5519077 0.85 CACNA2D1 (1.00) CACNA2D1
SCHEMBL4820104 0.85 CACNA2D1 (1.00) CACNA2D1GABRA1GABRG2GABRB3GABRA3
SCHEMBL4820980 0.85 CACNA2D1 (1.00) CACNA2D1
SCHEMBL5530592 0.84 CACNA2D1 (1.00) CACNA2D1GABRA1GABRG2GABRB3GABRA3
SCHEMBL8293215 0.84 CACNA2D1 (0.76) CACNA2D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1677799-A4 TRIAZOLO-PYRIDAZINE COMPOUNDS AND DERIVATIVES THEREOF USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN MERCK & CO INC (US) 2008-09-10 EP disclosed
US-20070213338-A1 Triazolo-Pyridazine Compounds and Derivatives Thereof Useful in the Treatment of Neuropathic Pain MERCK & CO., INC. 2007-09-13 US disclosed
US-20070213338-A1 Triazolo-Pyridazine Compounds and Derivatives Thereof Useful in the Treatment of Neuropathic Pain MERCK & CO., INC. 2007-09-13 US disclosed
US-20070213338-A1 Triazolo-Pyridazine Compounds and Derivatives Thereof Useful in the Treatment of Neuropathic Pain MERCK & CO., INC. 2007-09-13 US disclosed
EP-1677799-A1 TRIAZOLO-PYRIDAZINE COMPOUNDS AND DERIVATIVES THEREOF USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN Merck & Co., Inc. (US) 2006-07-12 EP disclosed
WO-2005041971-A1 TRIAZOLO-PYRIDAZINE COMPOUNDS AND DERIVATIVES THEREOF USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN MERCK & CO., INC. (US) 2005-05-12 WO disclosed
WO-2005041971-A1 TRIAZOLO-PYRIDAZINE COMPOUNDS AND DERIVATIVES THEREOF USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN MERCK & CO., INC. (US) 2005-05-12 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 (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-20070213338-A1 Triazolo-Pyridazine Compounds and Derivatives Thereof Useful in the Treatment of Neuropathic Pain PER2, CNR2, OPRD1 CACNA2D1 13/4885GABRA1 95/4885GABRG2 280/4885

“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.