SCHEMBL3662286

SCHEMBL3662286

O=C(O)[C@@H]1C[C@@H](NOCc2ccccc2)CN1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 2/20 0.45
DPP9 Q86TI2 2/20 0.45
DPP7 Q9UHL4 2/20 0.45
DPP4 P27487 4/20 0.45
EPHX2 P34913 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
GRIK1 P39086 1/20 0.39
GRIA2 P42262 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HIF1A Q16665 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
SCHEMBL19856419 0.88 ALDH1A1 (0.45) DPP8DPP9DPP7DPP4EPHX2
SCHEMBL19732237 0.88 ALDH1A1 (0.45) DPP8DPP9DPP7DPP4EPHX2
SCHEMBL15309876 0.88 ALDH1A1 (0.45) DPP8DPP9DPP7DPP4EPHX2
SCHEMBL1250452 0.88 ALDH1A1 (0.45) DPP8DPP9DPP7DPP4EPHX2
SCHEMBL1666704 0.88 ALDH1A1 (0.45) DPP8DPP9DPP7DPP4EPHX2
SCHEMBL1250453 0.88 ALDH1A1 (0.45) DPP8DPP9DPP7DPP4EPHX2
SCHEMBL19856434 0.88 ALDH1A1 (0.45) DPP8DPP9DPP7DPP4EPHX2
SCHEMBL1250455 0.88 ALDH1A1 (0.45) DPP8DPP9DPP7DPP4EPHX2
Hydrochloric Acid SCHEMBL16611847 0.86 ALDH1A1 (0.44) DPP8DPP9DPP7DPP4EPHX2
Oxalic Acid SCHEMBL19856452 0.85 ALDH1A1 (0.43) DPP8DPP9DPP7DPP4EPHX2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2666774-B1 Beta-lactamase Inhibitors MERCK SHARP & DOHME (US) 2015-01-07 EP disclosed
EP-2666774-A1 Beta-lactamase Inhibitors Merck Sharp & Dohme Corp. (US) 2013-11-27 EP disclosed
US-20130274475-A1 BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME (US) 2013-10-17 US disclosed
EP-2231667-B1 BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME (US) 2013-09-04 EP disclosed
US-8487093-B2 β-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-07-16 US disclosed
US-20110294777-A1 BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. 2011-12-01 US disclosed
EP-2231667-A2 BETA-LACTAMASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2010-09-29 EP disclosed
WO-2009091856-A2 BETA-LACTAMASE INHIBITORS MERCK & CO., INC. (US) 2009-07-23 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 (2 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-20110294777-A1 BETA-LACTAMASE INHIBITORS MGAM, RPIA, LBR DPP8 1086/4885DPP9 368/4885DPP7 821/4885
US-20130274475-A1 BETA-LACTAMASE INHIBITORS MGAM, RPIA, XDH DPP8 966/4885DPP9 284/4885DPP7 745/4885

“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.