SCHEMBL3855631

SCHEMBL3855631

CC(C)(C)OC(=O)N1[C@@H]([C@@H](O)[C@H](Cc2ccccc2)N(Cc2ccccc2)Cc2ccccc2)CCC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ PLG P00747 1/20 0.37
▸ YAP1 P46937 2/20 0.37
▸ MAPK1 P28482 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ NTSR1 P30989 1/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ GPR55 Q9Y2T6 1/20 0.36
▸ GPR119 Q8TDV5 1/20 0.36
▸ AKT1 P31749 1/20 0.35
▸ STS P08842 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ PKM P14618 1/20 0.35

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
SCHEMBL476221 0.84 PLG (0.41) PLGYAP1MAPK1MAPTNPSR1
SCHEMBL476223 0.84 PLG (0.41) PLGYAP1MAPK1MAPTNPSR1
SCHEMBL3857701 0.84 PLG (0.41) PLGYAP1MAPK1MAPTNPSR1
SCHEMBL3858183 0.80 ACE (0.45) JAK2JAK1MAPK1KMT2AHSD11B1
SCHEMBL475783 0.80 ACE (0.45) JAK2JAK1MAPK1KMT2AHSD11B1
SCHEMBL3861774 0.80 ACE (0.45) JAK2JAK1MAPK1KMT2AHSD11B1
SCHEMBL3858188 0.80 ACE (0.45) JAK2JAK1MAPK1KMT2AHSD11B1
SCHEMBL476042 0.80 ACE (0.45) JAK2JAK1MAPK1KMT2AHSD11B1
SCHEMBL3861772 0.80 ACE (0.45) JAK2JAK1MAPK1KMT2AHSD11B1
SCHEMBL476041 0.80 ACE (0.45) JAK2JAK1MAPK1KMT2AHSD11B1

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-7585885-B2 Pyrrolidine derivatives useful as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-09-08 — — US disclosed
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS ELI LILLY AND COMPANY 2007-09-13 — — US disclosed
EP-1740575-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 — — EP disclosed
WO-2005108358-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 — — 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-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 JAK2 4008/4885JAK1 4047/4885PLG 1470/4885

“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.

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