SCHEMBL4156484

SCHEMBL4156484

CCOC(=O)[C@]1(F)CN(Cc2ccccc2)C[C@H]1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 3/20 0.44
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SIGMAR1 Q99720 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
ARG1 P05089 1/20 0.41
ARG2 P78540 1/20 0.41
OPRM1 P35372 1/20 0.41

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
SCHEMBL4156493 1.00 CYP3A4 (0.47) CYP3A4CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL25107740 0.82 NPFFR1 (0.43) CYP3A4CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL4155702 0.79 RORC (0.42) LMNAL3MBTL1OPRD1
SCHEMBL3977998 0.79 CYP3A4 (0.47) CYP3A4CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL10306099 0.79 CYP3A4 (0.47) CYP3A4CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL21828677 0.77 CYP3A4 (0.51) CYP3A4CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL21828678 0.77 CYP3A4 (0.51) CYP3A4CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL928913 0.77 CYP3A4 (0.51) CYP3A4CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL8225319 0.76 OPRM1 (0.44) KDM4EGAALMNAKMT2AMEN1
SCHEMBL13537596 0.75 CYP3A4 (0.49) CYP3A4CYP2D6CYP2C9CYP2C19KDM4E

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 3 patents. 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 disclosed
US-20090247577-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ROGEL OLIVIER 2009-10-01 US disclosed
WO-2007140980-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2007-12-13 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-20090247577-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS BACE1, BACE2, APP CYP3A4 1377/4885CYP2D6 2022/4885CYP2C9 1365/4885

“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.