SCHEMBL1852202

SCHEMBL1852202

N#Cc1sc(NC(=O)[C@H]2CC[C@@H](C(=O)O)CC2)nc1-c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.52
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
ACHE P22303 6/20 0.48
ADORA2A P29274 6/20 0.47
ADORA1 P30542 5/20 0.47
ADORA2B P29275 1/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL1851266 1.00 ADORA3 (0.52) ADORA3ALDH1A1HTTACHEADORA2A
SCHEMBL1847200 1.00 ADORA3 (0.52) ADORA3ALDH1A1HTTACHEADORA2A
SCHEMBL1848613 0.93 ALDH1A1 (0.50) ADORA3ALDH1A1HTTACHEADORA2A
SCHEMBL1848611 0.93 ALDH1A1 (0.50) ADORA3ALDH1A1HTTACHEADORA2A
SCHEMBL1847187 0.93 ALDH1A1 (0.50) ADORA3ALDH1A1HTTACHEADORA2A
SCHEMBL1847184 0.93 ALDH1A1 (0.50) ADORA3ALDH1A1HTTACHEADORA2A
SCHEMBL1847191 0.93 ALDH1A1 (0.50) ADORA3ALDH1A1HTTACHEADORA2A
SCHEMBL1849827 0.92 ADORA2A (0.49) ADORA3ALDH1A1HTTACHEADORA2A
SCHEMBL1846481 0.91 ADORA2A (0.48) ADORA3ALDH1A1HTTACHEADORA2A
SCHEMBL1850679 0.91 ALDH1A1 (0.48) ADORA3ALDH1A1HTTACHEADORA2A

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 3/4885ALDH1A1 362/4885HTT 3101/4885

“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.