SCHEMBL10071092

SCHEMBL10071092

C[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)CN1CCC[C@H]1C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA2B P29275 1/20 0.50
ADORA1 P30542 1/20 0.50
KLK5 Q9Y337 1/20 0.46
ACE P12821 3/20 0.46
CACNA1B Q00975 4/20 0.42
F2 P00734 2/20 0.41
LTA4H P09960 2/20 0.40
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
PPARD Q03181 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38

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
SCHEMBL10082599 0.89 F2 (0.53) ADORA3ADORA2AADORA2BADORA1KLK5
SCHEMBL10071088 0.87 ADORA3 (0.51) ADORA3ADORA2AADORA2BADORA1KLK5
SCHEMBL10071089 0.86 F2 (0.46) ACEF2NPSR1
SCHEMBL10071091 0.85 ACE (0.57) ADORA3ADORA2AADORA2BADORA1KLK5
SCHEMBL10071087 0.82 ACE (0.51) KLK5ACE
SCHEMBL10082600 0.79 DPP4 (0.52) KLK5ACE
SCHEMBL10082601 0.77 ADORA3 (0.51) ADORA3ADORA2AADORA2BADORA1KLK5
SCHEMBL16269854 0.76 PARP1 (0.50) ADORA3ADORA2AADORA2BADORA1ACE
SCHEMBL13016622 0.76 PARP1 (0.50) ADORA3ADORA2AADORA2BADORA1ACE
SCHEMBL28468245 0.76 KMT2A (0.52) ADORA3ADORA2AADORA2BADORA1KLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120045393-A1 LHRH-II PEPTIDE ANALOGS BRACCO IMAGING SPA (IT) 2012-02-23 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-20120045393-A1 LHRH-II PEPTIDE ANALOGS LHCGR, GNRHR, FSHR ADORA3 3804/4885ADORA2A 4476/4885ADORA2B 4571/4885

“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.