SCHEMBL10083010

SCHEMBL10083010

CC(C)(C)OC(=O)[C@@H]1CCCN1C[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.51
ADORA2A P29274 1/20 0.51
ADORA2B P29275 1/20 0.51
ADORA1 P30542 1/20 0.51
ACE P12821 4/20 0.51
YAP1 P46937 3/20 0.44
PIN1 Q13526 1/20 0.43
MMEL1 Q495T6 1/20 0.42
POLB P06746 1/20 0.41
PTPN1 P18031 1/20 0.41
LTA4H P09960 2/20 0.41
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
KLK5 Q9Y337 1/20 0.39

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
SCHEMBL10083011 0.85 ACE (0.61) ADORA3ADORA2AADORA2BADORA1ACE
SCHEMBL26195395 0.81 MDM4 (0.52) ADORA3ADORA2AADORA2BADORA1PIN1
SCHEMBL7329010 0.79 ADORA3 (0.58) ADORA3ADORA2AADORA2BADORA1ACE
SCHEMBL8648996 0.79 ADORA3 (0.58) ADORA3ADORA2AADORA2BADORA1ACE
SCHEMBL8648992 0.79 ADORA3 (0.58) ADORA3ADORA2AADORA2BADORA1ACE
SCHEMBL10071091 0.79 ACE (0.57) ADORA3ADORA2AADORA2BADORA1ACE
SCHEMBL26195412 0.79 MDM4 (0.51) ADORA3ADORA2AADORA2BADORA1PIN1
SCHEMBL8647459 0.77 KLK5 (0.61) ADORA3ADORA2AADORA2BADORA1ACE
SCHEMBL8647455 0.77 KLK5 (0.61) ADORA3ADORA2AADORA2BADORA1ACE
SCHEMBL7269454 0.77 KLK5 (0.61) ADORA3ADORA2AADORA2BADORA1ACE

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.