SCHEMBL4155702

SCHEMBL4155702

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 11/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
KLK7 P49862 2/20 0.39
STS P08842 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KLK5 Q9Y337 1/20 0.39
LMNA P02545 1/20 0.38
THRB P10828 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
SCHEMBL13657954 0.82 RORC (0.47) RORCJAK2JAK1OPRD1OPRK1
SCHEMBL3914620 0.81 RORC (0.43) RORCJAK2JAK1OPRD1OPRK1
SCHEMBL3914621 0.81 RORC (0.43) RORCJAK2JAK1OPRD1OPRK1
SCHEMBL3922516 0.80 RORC (0.43) RORCJAK2JAK1OPRD1OPRK1
SCHEMBL3922509 0.80 RORC (0.43) RORCJAK2JAK1OPRD1OPRK1
SCHEMBL4156484 0.79 CYP3A4 (0.47) OPRD1L3MBTL1LMNA
SCHEMBL4156493 0.79 CYP3A4 (0.47) OPRD1L3MBTL1LMNA
SCHEMBL3919294 0.76 JAK2 (0.43) RORCJAK2JAK1GPR119KLK7
SCHEMBL3922323 0.76 JAK2 (0.43) RORCJAK2JAK1GPR119KLK7
SCHEMBL25107740 0.73 NPFFR1 (0.43) OPRD1L3MBTL1LMNA

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 RORC 3624/4885JAK2 3614/4885JAK1 4246/4885

“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.