SCHEMBL5559714

SCHEMBL5559714

Nc1ccnc(C2CCOCC2)c1I

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 3/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33

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
SCHEMBL18978716 0.84 OPRL1 (0.35) OPRL1PIK3CDPIK3CAPDE10A
SCHEMBL18978731 0.75 ACVR2A (0.34) PIK3CDPIK3CAPDE10A
SCHEMBL16053346 0.73 OPRL1 (0.40) OPRL1PDE10A
SCHEMBL927943 0.70 NCF1 (0.34) OPRL1
SCHEMBL5559958 0.69 PIK3CD (0.43) PIK3CDPIK3CA
SCHEMBL7700960 0.68 PDE10A (0.40) OPRL1PDE10A
SCHEMBL5564246 0.68 P2RX3 (0.40) PIK3CA
SCHEMBL15740579 0.67 NCF1 (0.32) —
SCHEMBL30385681 0.67 TDO2 (0.34) OPRL1
SCHEMBL15740688 0.67 TDO2 (0.34) OPRL1

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
US-7273865-B2 Thiazolopyridine HOFFMANN-LA ROCHE INC. (US) 2007-09-25 — — US disclosed
EP-1670805-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-21 — — EP disclosed
WO-2005028484-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2005-03-31 — — WO disclosed
US-20050065151-A1 Thiazolopyridine HOFFMANN-LA ROCHE INC. 2005-03-24 — — 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-20050065151-A1 Thiazolopyridine ADORA2A, ADORA3, ADORA1 OPRL1 42/4885PIK3CD 2520/4885PIK3CA 2177/4885

“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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