SCHEMBL839569

SCHEMBL839569

O=C(OCc1ccccc1)N1CCC[C@]1(Cl)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL4814906 0.82 MEN1 (0.48) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL536304 0.82 MEN1 (0.48) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL20335022 0.82 MEN1 (0.48) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL30832481 0.82 MEN1 (0.50) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL6515271 0.82 MEN1 (0.50) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL630728 0.81 MEN1 (0.47) MEN1KMT2ANPSR1
SCHEMBL29603146 0.81
SCHEMBL317040 0.81 MEN1 (0.47) MEN1KMT2ANPSR1
SCHEMBL205894 0.81 MEN1 (0.47) MEN1KMT2ANPSR1
SCHEMBL7606324 0.81 MEN1 (0.49) MEN1KMT2ANPSR1NPC1RAB9A

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-8143249-B2 Prodrugs of A2B adenosine receptor antagonists GILEAD SCIENCES, INC. (US) 2012-03-27 US disclosed
US-20110160162-A1 PRODRUGS OF A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. (US) 2011-06-30 US disclosed
EP-2301937-A1 Prodrugs of A2b adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2011-03-30 EP disclosed
US-20100056538-A1 Pro-drugs of A2B Adenosine Receptor Antagonists GILEAD PALO ALTO, INC. (US) 2010-03-04 US disclosed
US-7625881-B2 Prodrugs of A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. (US) 2009-12-01 US disclosed
EP-1891070-A1 PRODRUGS OF A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2008-02-27 EP disclosed
WO-2006138376-A1 PRODRUGS OF A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-12-28 WO disclosed
US-20060293283-A1 Prodrugs of A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2006-12-28 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-20110160162-A1 PRODRUGS OF A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 MEN1 3655/4885KMT2A 2662/4885NPSR1 173/4885
US-20100056538-A1 Pro-drugs of A2B Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA1 MEN1 3154/4885KMT2A 3714/4885NPSR1 165/4885
US-20060293283-A1 Prodrugs of A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 MEN1 3655/4885KMT2A 2662/4885NPSR1 173/4885

“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.