SCHEMBL3855332

SCHEMBL3855332

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
POLB P06746 1/20 0.41
SRC P12931 8/20 0.41
GHSR Q92847 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
FFAR1 O14842 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CCR3 P51677 1/20 0.40
EPHX2 P34913 1/20 0.38
USP30 Q70CQ3 1/20 0.38
PDE4B Q07343 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
SCHEMBL24739420 0.88 HRH3 (0.47) ABHD6POLBSRCGHSR
SCHEMBL24739545 0.88 POLB (0.42) POLBSRCSLC6A2SLC6A4SLC6A3
SCHEMBL12021295 0.88 SRC (0.48) SRCMEN1KMT2AUSP30
SCHEMBL2434824 0.88 SRC (0.48) SRCMEN1KMT2AUSP30
SCHEMBL2431924 0.85 MEN1 (0.44) SRCMEN1KMT2A
SCHEMBL5156895 0.85 MEN1 (0.44) SRCMEN1KMT2A
SCHEMBL3863158 0.85 GRIN1 (0.43) ABHD6GRIN1GRIN2BGHSRSLC6A2
SCHEMBL17794123 0.85 SLC6A2 (0.45) POLBSRCGHSRSLC6A2SLC6A4
SCHEMBL24739053 0.83 GPR119 (0.44) GRIN1GRIN2BPOLBSRC
SCHEMBL3862645 0.83 P2RX3 (0.47) ABHD6POLBGHSRSLC6A2SLC6A4

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 ABHD6 3265/4885GRIN1 53/4885GRIN2B 64/4885

“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.