SCHEMBL21723100

SCHEMBL21723100

CC(C)(C)OC(=O)N1CCC([C@H](N)C(F)(F)F)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.54
▸ HPGD P15428 1/20 0.49
▸ RECQL P46063 1/20 0.47
▸ EPHX1 P07099 1/20 0.47
▸ USP2 O75604 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ GPR119 Q8TDV5 6/20 0.44
▸ MAPT P10636 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ EED O75530 1/20 0.43
▸ RBBP4 Q09028 1/20 0.43
▸ SUZ12 Q15022 1/20 0.43
▸ EZH2 Q15910 1/20 0.43
▸ AEBP2 Q6ZN18 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43

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
SCHEMBL22463010 1.00 DPP4 (0.54) DPP4HPGDRECQLEPHX1USP2
SCHEMBL23826380 1.00 DPP4 (0.54) DPP4HPGDRECQLEPHX1USP2
SCHEMBL7422195 0.83 HPGD (0.50) DPP4HPGDRECQLEPHX1USP2
SCHEMBL3500032 0.83 DPP4 (0.54) DPP4HPGDRECQLEPHX1USP2
SCHEMBL22022723 0.83 DPP4 (0.54) DPP4HPGDRECQLEPHX1USP2
SCHEMBL2258037 0.83 DPP4 (0.54) DPP4HPGDRECQLEPHX1USP2
SCHEMBL20600922 0.83 DPP4 (0.54) DPP4HPGDRECQLEPHX1USP2
SCHEMBL20615758 0.83 DPP4 (0.54) DPP4HPGDRECQLEPHX1USP2
SCHEMBL3503165 0.83 DPP4 (0.54) DPP4HPGDRECQLEPHX1USP2
SCHEMBL23826056 0.82 DPP4 (0.64) DPP4HPGDRECQLEPHX1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220024921-A1 1,3,4-OXADIAZOLONE COMPOUND AND PHARMACEUTICAL NIPPON SHINYAKU CO., LTD. (JP) 2022-01-27 — — US disclosed
EP-3882239-A1 1,3,4-OXADIAZOLONE COMPOUND AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2021-09-22 — — EP disclosed
CN-113302184-A 1,3, 4-oxadiazolinone compounds and drugs 日本新药株式会社 2021-08-24 — — CN disclosed
EP-3837263-A1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2021-06-23 — — EP disclosed
EP-3837264-A1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2021-06-23 — — EP disclosed
WO-2020035425-A1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2020-02-20 — — WO disclosed
WO-2020035424-A1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2020-02-20 — — 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-20220024921-A1 1,3,4-OXADIAZOLONE COMPOUND AND PHARMACEUTICAL PIM1, PIM3, PIM2 DPP4 32/4885HPGD 1805/4885RECQL 3852/4885

“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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