SCHEMBL4156781

SCHEMBL4156781

NC(=O)C(Cc1ccccc1)[C@@H]1CCNC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.43
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
SLC6A3 Q01959 4/20 0.39
CPN1 P15169 1/20 0.39
CPB2 Q96IY4 1/20 0.39
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
SLC7A5 Q01650 1/20 0.39
CCR1 P32246 3/20 0.39
JAK3 P52333 1/20 0.38
TACR1 P25103 1/20 0.38
GBA1 P04062 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
SCHEMBL4156782 1.00 EPHX1 (0.43) EPHX1SLC6A2SLC6A4SLC6A3CPN1
SCHEMBL27832973 0.91 CPN1 (0.45) EPHX1CPN1CPB2ALPIPKM
SCHEMBL23751456 0.88 CPN1 (0.48) CPN1CPB2ALPIPKMPTGS1
SCHEMBL22764999 0.88 CPN1 (0.48) CPN1CPB2ALPIPKMPTGS1
SCHEMBL22765000 0.88 CPN1 (0.48) CPN1CPB2ALPIPKMPTGS1
SCHEMBL23751460 0.88 CPN1 (0.48) CPN1CPB2ALPIPKMPTGS1
SCHEMBL22765044 0.88 CPN1 (0.48) CPN1CPB2ALPIPKMPTGS1
SCHEMBL23751454 0.88 CPN1 (0.48) CPN1CPB2ALPIPKMPTGS1
Hydrochloric Acid SCHEMBL22750398 0.87 CPN1 (0.47) CPN1CPB2ALPIPKMPTGS1
Hydrochloric Acid SCHEMBL22750413 0.87 CPN1 (0.47) CPN1CPB2ALPIPKMPTGS1

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-20090247577-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ROGEL OLIVIER 2009-10-01 US claimed

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-20090247577-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS BACE1, BACE2, APP EPHX1 1357/4885SLC6A2 2162/4885SLC6A4 3253/4885

“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.