SCHEMBL22462857

SCHEMBL22462857

O=C(O)N1CCC(Cc2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 5/20 0.51
▸ MGLL Q99685 7/20 0.45
▸ FAAH O00519 3/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ EPHX2 P34913 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ HCRTR1 O43613 1/20 0.42
▸ SLC2A1 P11166 1/20 0.42

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
SCHEMBL21723021 0.93 LIPE (0.46) LIPEMGLLFAAHCHRM2CHRM1
SCHEMBL25253670 0.84 FFAR4 (0.41) LIPECHRM2CHRM1EPHX2LMNA
SCHEMBL30272610 0.83 LIPE (0.51) LIPEFAAHKDM4EMAPTSMN1; SMN2
SCHEMBL5932044 0.80 FAAH (0.47) FAAHLMNAKDM4EMAPTCYP2C9
SCHEMBL20281894 0.79 LIPE (0.46) LIPEKDM4EMAPTSMN1; SMN2
SCHEMBL24593793 0.79 KDM1A (0.44) LIPELMNAKDM4EABL1HCRTR1
SCHEMBL17028048 0.79 TRPA1 (0.44) LIPELMNAKDM4EABL1HCRTR1
SCHEMBL5804901 0.77 LMNA (0.46) LIPEEPHX2LMNAKDM4EABL1
SCHEMBL23752485 0.76 MGLL (0.76) LIPEMGLLFAAH
SCHEMBL14834356 0.75 CCR6 (0.59) EPHX2CYP2C9HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3837263-B1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN LA ROCHE (CH) 2024-07-03 — — EP disclosed
US-20240150373-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2024-05-09 — — US disclosed
US-11802133-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors HOFFMANN-LA ROCHE INC. (US) 2023-10-31 — — US disclosed
US-20230050901-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2023-02-16 — — US disclosed
US-20210277020-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2021-09-09 — — US disclosed
US-20200308190-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-10-01 — — 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 (5 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-20210277020-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL LIPE 6/4885MGLL 1/4885FAAH 48/4885
US-20240150373-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LPL, MGLL LIPE 6/4885MGLL 3/4885FAAH 60/4885
US-20200308190-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, MGLL, LPL LIPE 6/4885MGLL 2/4885FAAH 61/4885
US-11802133-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors LIPC, LPL, MGLL LIPE 6/4885MGLL 3/4885FAAH 60/4885
US-20230050901-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LPL, MGLL LIPE 6/4885MGLL 3/4885FAAH 60/4885

“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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