SCHEMBL9003889

SCHEMBL9003889

N[C@H]1CC[C@@H](NC(=O)N[C@H]2CC[C@@H](N)CC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.61
EPHX1 P07099 9/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP3A4 P08684 1/20 0.56
SMYD3 Q9H7B4 10/20 0.47

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
SCHEMBL1412068 1.00 EPHX2 (0.61) EPHX2EPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL15263089 0.91 EPHX1 (0.74) EPHX2EPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL15265912 0.91 EPHX1 (0.74) EPHX2EPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL15265919 0.91 EPHX1 (0.74) EPHX2EPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL15263091 0.91 EPHX1 (0.74) EPHX2EPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL9003951 0.89 EPHX2 (0.50) EPHX2EPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL9547538 0.86 EPHX2 (0.78) EPHX2EPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL8959925 0.82 EPHX1 (0.62) EPHX2EPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL1412186 0.82 EPHX1 (0.62) EPHX2EPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL4363873 0.82 EPHX1 (0.62) EPHX2EPHX1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188100-B2 Adenosine derivatives as A2A receptor agonists NOVARTIS AG (CH) 2012-05-29 US disclosed
US-20090325967-A1 ADENOSINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2009-12-31 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-20090325967-A1 ADENOSINE DERIVATIVES AS A2A RECEPTOR AGONISTS ADORA2A, ADORA2B, ADORA1 EPHX2 1537/4885EPHX1 1870/4885NPC1 2117/4885

“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.