SCHEMBL21722935

SCHEMBL21722935

CN(c1ccc(C(F)(F)F)cc1)C1CCN(C(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.47
MCHR1 Q99705 9/20 0.46
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KCNH2 Q12809 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
EPHX2 P34913 1/20 0.42
NOTUM Q6P988 1/20 0.42
HSD11B1 P28845 1/20 0.41
USP30 Q70CQ3 2/20 0.41

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
SCHEMBL28595455 0.92 MCHR1 (0.50) CYP3A4MCHR1
SCHEMBL22462947 0.85 MCHR1 (0.43) CYP3A4MCHR1KCNH2NOTUM
SCHEMBL2896994 0.83 L3MBTL3 (0.46) KCNH2
SCHEMBL28919139 0.83 CYP3A4 (0.59) CYP3A4
SCHEMBL22462921 0.83 MEN1 (0.54) USP30
SCHEMBL28206973 0.82 CHRM2 (0.48) KCNH2
SCHEMBL28291011 0.81 MCHR1 (0.65) MCHR1
SCHEMBL2056174 0.80 HTR2A (0.58) CYP3A4MCHR1HTR2AHTR2C
SCHEMBL27663711 0.79 KIF11 (0.43) CYP3A4HTR2AHTR2C
SCHEMBL20570811 0.79 PDK2 (0.45) MCHR1GAATDP1KCNH2EPHX2

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-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
EP-3837263-A1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2021-06-23 EP disclosed
US-20200308190-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-10-01 US 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 (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 CYP3A4 1459/4885MCHR1 1613/4885GAA 38/4885
US-20240150373-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LPL, MGLL CYP3A4 497/4885MCHR1 3238/4885GAA 28/4885
US-20200308190-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, MGLL, LPL CYP3A4 551/4885MCHR1 3419/4885GAA 27/4885
US-11802133-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors LIPC, LPL, MGLL CYP3A4 497/4885MCHR1 3238/4885GAA 28/4885
US-20230050901-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LPL, MGLL CYP3A4 497/4885MCHR1 3238/4885GAA 28/4885

“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.