SCHEMBL874814

SCHEMBL874814

N[C@@H]1CCc2ccc3c(c21)[C@H](N)CC3

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.43
ACHE P22303 2/20 0.41
PLAU P00749 1/20 0.39
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
OPRK1 P41145 1/20 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
Hydrochloric Acid SCHEMBL584893 0.97 ANPEP (0.45) ANPEPACHEPLAUDRD2DRD3
SCHEMBL4013776 0.80 ACHE (0.38) ANPEPACHEPLAUDRD2DRD3
SCHEMBL4023017 0.80 HTR2A (0.45)
SCHEMBL1150946 0.80 CYP11B1 (0.38) ANPEPACHEDRD2DRD3
SCHEMBL4015985 0.77 ACHE (0.36) ACHE
SCHEMBL4017248 0.77 IL1RN (0.39) ANPEPACHE
SCHEMBL18540921 0.77 ACHE (0.45) ANPEPACHEPLAU
SCHEMBL21650388 0.77 ACHE (0.45) ANPEPACHEPLAU
SCHEMBL1151104 0.75 HTR2C (0.45) ANPEPACHEPLAU
SCHEMBL1150762 0.75 DRD2 (0.49) ANPEPACHEPLAUDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077989-A1 CYCLIC IMIDATE LIGANDS UNIVERSITEIT GENT (BE) 2012-03-29 US disclosed
US-20120077989-A1 CYCLIC IMIDATE LIGANDS UNIVERSITEIT GENT (BE) 2012-03-29 US disclosed
US-20120077989-A1 CYCLIC IMIDATE LIGANDS UNIVERSITEIT GENT (BE) 2012-03-29 US disclosed
WO-2010115903-A1 CYCLIC IMIDATE LIGANDS UNIVERSITEIT GENT (BE) 2010-10-14 WO 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-20120077989-A1 CYCLIC IMIDATE LIGANDS IDH2, CYCS, NAPRT ANPEP 1164/4885ACHE 1161/4885PLAU 4620/4885

“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.