SCHEMBL1849698

SCHEMBL1849698

N#Cc1sc(NC(=O)C2CCC(C(=O)O)C2)nc1-c1cccc(F)c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.63
ADORA2A P29274 4/20 0.46
ADORA1 P30542 3/20 0.46
ADORA2B P29275 1/20 0.46
ACHE P22303 2/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
UCHL1 P09936 1/20 0.41
VCP P55072 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
USP30 Q70CQ3 1/20 0.40
KCNK2 O95069 1/20 0.40
KCNK4 Q9NYG8 1/20 0.40

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
SCHEMBL1847127 1.00 ADORA3 (0.63) ADORA3ADORA2AADORA1ADORA2BACHE
SCHEMBL1855241 1.00 ADORA3 (0.63) ADORA3ADORA2AADORA1ADORA2BACHE
SCHEMBL1855239 1.00 ADORA3 (0.63) ADORA3ADORA2AADORA1ADORA2BACHE
SCHEMBL1847123 1.00 ADORA3 (0.63) ADORA3ADORA2AADORA1ADORA2BACHE
SCHEMBL1848771 0.97 ADORA3 (0.60) ADORA3ADORA2AADORA1ADORA2BACHE
SCHEMBL1848774 0.97 ADORA3 (0.60) ADORA3ADORA2AADORA1ADORA2BACHE
SCHEMBL1848769 0.97 ADORA3 (0.60) ADORA3ADORA2AADORA1ADORA2BACHE
SCHEMBL1854921 0.97 ADORA3 (0.60) ADORA3ADORA2AADORA1ADORA2BACHE
SCHEMBL1854920 0.97 ADORA3 (0.60) ADORA3ADORA2AADORA1ADORA2BACHE
SCHEMBL1848987 0.94 ADORA3 (0.67) ADORA3ADORA2AADORA1ADORA2BACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410282-B2 Compounds as adenosine A1 receptor antagonists PALOBIOFARMA, S.L. (ES) 2013-04-02 US claimed
EP-2197860-B1 NEW COMPOUNDS AS ADENOSINE A1 RECEPTOR ANTAGONISTS PALOBIOFARMA SL (ES) 2011-05-25 EP claimed
US-20100311703-A1 NEW COMPOUNDS AS ADENOSINE A1 RECEPTOR ANTAGONISTS PALOBIOFARMA, S.L. (ES) 2010-12-09 US claimed
US-8410282-B2 Compounds as adenosine A1 receptor antagonists PALOBIOFARMA, S.L. (ES) 2013-04-02 US disclosed
EP-2197860-B1 NEW COMPOUNDS AS ADENOSINE A1 RECEPTOR ANTAGONISTS PALOBIOFARMA SL (ES) 2011-05-25 EP disclosed
US-20100311703-A1 NEW COMPOUNDS AS ADENOSINE A1 RECEPTOR ANTAGONISTS PALOBIOFARMA, S.L. (ES) 2010-12-09 US disclosed
EP-2197860-A1 NEW COMPOUNDS AS ADENOSINE A1 RECEPTOR ANTAGONISTS Palobiofarma, S.L. (ES) 2010-06-23 EP disclosed
WO-2009044250-A1 NEW COMPOUNDS AS ADENOSINE A1 RECEPTOR ANTAGONISTS PALOBIOFARMA, S.L. (ES) 2009-04-09 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-20100311703-A1 NEW COMPOUNDS AS ADENOSINE A1 RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 ADORA3 3/4885ADORA2A 2/4885ADORA1 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.