SCHEMBL3863158

SCHEMBL3863158

COc1cccc(O[C@@H]2C[C@H](C=O)N(C(=O)OC(C)(C)C)C2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ABHD6 Q9BV23 1/20 0.41
EPHX2 P34913 1/20 0.40
GHSR Q92847 1/20 0.40
FFAR1 O14842 3/20 0.40
USP30 Q70CQ3 2/20 0.40
CCR3 P51677 1/20 0.40
TGFBR1 P36897 1/20 0.39
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 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
SCHEMBL24739401 0.88 HRH3 (0.47) SLC6A2SLC6A4SLC6A3ABHD6GHSR
SCHEMBL24739536 0.88 SLC6A4 (0.42) SLC6A2SLC6A4SLC6A3EPHX2USP30
SCHEMBL12442601 0.88 USP30 (0.49) USP30
SCHEMBL7722106 0.87 MCL1 (0.45) EPHX2FFAR1USP30
SCHEMBL3855332 0.85 ABHD6 (0.41) GRIN1GRIN2BSLC6A2SLC6A4SLC6A3
SCHEMBL3862645 0.83 P2RX3 (0.47) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL24739445 0.81 HRH3 (0.43) GRIN1GRIN2BEPHX2USP30KCNH2
SCHEMBL24739131 0.81 P2RX3 (0.47) MEN1KMT2AUSP30
SCHEMBL18435508 0.79 HDAC8 (0.43)
SCHEMBL13481650 0.78 PRMT5 (0.42) HRH3

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 2 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

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 GRIN1 53/4885GRIN2B 64/4885SLC6A2 1624/4885

“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.