SCHEMBL10071091

SCHEMBL10071091

C[C@@H](Cc1ccc(OCc2ccccc2)cc1)CN1CCC[C@H]1C(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.57
ADORA3 P0DMS8 1/20 0.54
ADORA2A P29274 1/20 0.54
ADORA2B P29275 1/20 0.54
ADORA1 P30542 1/20 0.54
YAP1 P46937 3/20 0.50
LTA4H P09960 2/20 0.48
POLB P06746 1/20 0.47
SPHK1 Q9NYA1 1/20 0.46
HRH3 Q9Y5N1 3/20 0.46
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL10071095 0.88 ACE (0.52) ACEYAP1LTA4HPOLBSPHK1
SCHEMBL10071092 0.85 ADORA3 (0.50) ACEADORA3ADORA2AADORA2BADORA1
SCHEMBL10071088 0.85 ADORA3 (0.51) ACEADORA3ADORA2AADORA2BADORA1
SCHEMBL10071093 0.83 ACE (0.64) ACEYAP1SPHK1KLK5KLK7
SCHEMBL10083010 0.79 ADORA3 (0.51) ACEADORA3ADORA2AADORA2BADORA1
SCHEMBL7274187 0.78 ADORA3 (0.73) ACEADORA3ADORA2AADORA2BADORA1
SCHEMBL7137211 0.77 LTA4H (0.71) ACELTA4HHRH3LMNARAB9A
SCHEMBL28468245 0.76 KMT2A (0.52) ACEADORA3ADORA2AADORA2BADORA1
SCHEMBL10083004 0.76 ACE (0.52) ACEYAP1LTA4HPOLBSPHK1
SCHEMBL8135470 0.76 LTA4H (0.56) ACEADORA3ADORA2AADORA2BADORA1

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 ACE 2838/4885ADORA3 3804/4885ADORA2A 4476/4885

“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.