SCHEMBL5393053

SCHEMBL5393053

BrCCCC[n+]1ccccc1

nearest known ligand 0.95

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 7/20 0.70
▸ ACHE P22303 6/20 0.70

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
SCHEMBL30105291 0.97 BCHE (0.75) BCHEACHE
Bromide SCHEMBL7919286 0.97 BCHE (0.71) BCHEACHE
SCHEMBL7046057 0.97 BCHE (0.75) BCHEACHE
SCHEMBL7045560 0.97 BCHE (0.75) BCHEACHE
SCHEMBL2407838 0.97 BCHE (0.75) BCHEACHE
Ammonia Solution, Strong SCHEMBL28709118 0.95 BCHE (0.71) BCHEACHE
Bromide SCHEMBL7927268 0.95 BCHE (0.76) BCHEACHE
Bromide SCHEMBL7927418 0.95 BCHE (0.76) BCHEACHE
Bromide SCHEMBL2401340 0.95 BCHE (0.76) BCHEACHE
SCHEMBL31232300 0.92 BCHE (0.65) BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297792-B2 Pyrazolopyridines and pyrazolopyridazines as antidiabetics SMITHKLINE BEECHAM CORPORATION (US) 2007-11-20 — — US claimed
US-20060223800-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES ADN ANTIDIABETICS GARLAND STEPHEN 2006-10-05 — — US claimed
US-7109199-B2 Pyrazolopyridines and pyrazolopyridazines as antidiabetics SMITHKLINE BEECHAM CORPORATION (US) 2006-09-19 — — US claimed
US-20040019052-A1 Pyrazolopyridines and pyrazolopyridazines as antidabetics SMITHKLINE BEECHAM P.L.C. (GB) 2004-01-29 — — US claimed
EP-1319001-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES AS ANTIDIABETICS SMITHKLINE BEECHAM PLC (GB) 2003-06-18 — — EP claimed
US-20030064954-A1 Cationic amphiphilic 1,4-dihydropyridine derivatives useful for delivery of nucleotide containing compounds SPONDULI SERVICES, LTD. (AU) 2003-04-03 — — US claimed
WO-2002024694-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES AS ANTIDIABETICS SMITHKLINE BEECHAM, P.L.C. (GB) 2002-03-28 — — WO claimed
US-4753908-A WATER SOLUBLE MACROMOLECULAR ADDITION POLYMERS MIXED WITH SILICA, WATER, AND SMECTITE TYPE MINERALS; FIRING AGENCY OF INDUSTRIAL SCIENCE (JP) 1988-06-28 — — US claimed
US-7297792-B2 Pyrazolopyridines and pyrazolopyridazines as antidiabetics SMITHKLINE BEECHAM CORPORATION (US) 2007-11-20 — — US disclosed
US-20060223800-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES ADN ANTIDIABETICS GARLAND STEPHEN 2006-10-05 — — US disclosed
US-7109199-B2 Pyrazolopyridines and pyrazolopyridazines as antidiabetics SMITHKLINE BEECHAM CORPORATION (US) 2006-09-19 — — US disclosed
US-20040019052-A1 Pyrazolopyridines and pyrazolopyridazines as antidabetics SMITHKLINE BEECHAM P.L.C. (GB) 2004-01-29 — — US disclosed
EP-1319001-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES AS ANTIDIABETICS SMITHKLINE BEECHAM PLC (GB) 2003-06-18 — — EP disclosed
US-20030064954-A1 Cationic amphiphilic 1,4-dihydropyridine derivatives useful for delivery of nucleotide containing compounds SPONDULI SERVICES, LTD. (AU) 2003-04-03 — — US disclosed
WO-2002024694-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES AS ANTIDIABETICS SMITHKLINE BEECHAM, P.L.C. (GB) 2002-03-28 — — WO disclosed
US-4753908-A WATER SOLUBLE MACROMOLECULAR ADDITION POLYMERS MIXED WITH SILICA, WATER, AND SMECTITE TYPE MINERALS; FIRING AGENCY OF INDUSTRIAL SCIENCE (JP) 1988-06-28 — — 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 (3 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-20030064954-A1 Cationic amphiphilic 1,4-dihydropyridine derivatives useful for delivery of nucleotide containing compounds ACIN1, DNA2, KPNA1 BCHE 3931/4885ACHE 3588/4885
US-20060223800-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES ADN ANTIDIABETICS ADK, PDXK, GPR119 BCHE 2066/4885ACHE 354/4885
US-20040019052-A1 Pyrazolopyridines and pyrazolopyridazines as antidabetics PDXK, GCK, IAPP BCHE 2328/4885ACHE 378/4885

“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.

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