SCHEMBL20137136

SCHEMBL20137136

CC(C)(C)OC(=O)Cc1cc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.52
TSHR P16473 3/20 0.52
MGLL Q99685 5/20 0.51
USP2 O75604 4/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
TACR1 P25103 4/20 0.47
HPGD P15428 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.44
STS P08842 1/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 1/20 0.42
GLS O94925 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
SCHEMBL19992929 0.88 CYP2D6 (0.45) CYP2D6TSHRMGLLUSP2CYP1A2
SCHEMBL28323571 0.87 USP2 (0.47) CYP2D6TSHRMGLLUSP2CYP1A2
SCHEMBL20151867 0.87 TSHR (0.58) CYP2D6TSHRMGLLUSP2CYP1A2
SCHEMBL20137044 0.86 CYP2D6 (0.54) CYP2D6TSHRMGLLUSP2CYP1A2
SCHEMBL447202 0.85 CYP2D6 (0.53) CYP2D6TSHRMGLLUSP2CYP1A2
SCHEMBL19974330 0.85 CYP2D6 (0.53) CYP2D6TSHRMGLLUSP2CYP1A2
SCHEMBL28323575 0.85 CYP2D6 (0.48) CYP2D6TSHRMGLLUSP2CYP1A2
SCHEMBL20503443 0.82 CYP2D6 (0.50) CYP2D6TSHRMGLLUSP2CYP1A2
SCHEMBL8535869 0.81 FAAH (0.60) MGLLTACR1ALDH1A1GLS
SCHEMBL1657753 0.81 CYP2D6 (0.52) CYP2D6TSHRMGLLUSP2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109996790-B Piperazine carbamates and methods of making and using the same H.隆德贝克有限公司 2023-05-16 CN disclosed
CN-110267963-B MAGL inhibitors H.隆德贝克有限公司 2022-04-01 CN disclosed
EP-3515897-B1 PIPERAZINE CARBAMATES AS MODULATORS OF MAGL AND/OR ABHD6 AND THEIR USE H LUNDBECK AS (DK) 2021-08-18 EP disclosed
US-10899737-B2 Piperazine carbamates and methods of making and using same LUNDBECK LA JOLLA RESEARCH CENTER, INC. (US) 2021-01-26 US disclosed
EP-3541821-A1 MAGL INHIBITORS Abide Therapeutics, Inc. (US) 2019-09-25 EP disclosed
US-20190202801-A1 PIPERAZINE CARBAMATES AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2019-07-04 US disclosed
US-10093635-B2 MAGL inhibitors ABIDE THERAPEUTICS, INC. (US) 2018-10-09 US disclosed
WO-2018093947-A1 MAGL INHIBITORS ABIDE THERAPEUTICS, INC. (US) 2018-05-24 WO disclosed
US-20180134674-A1 MAGL INHIBITORS H. LUNDBECK A/S (DK) 2018-05-17 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 (4 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-20180134674-A1 MAGL INHIBITORS MAG, MAGI3, MGLL CYP2D6 3916/4885TSHR 4772/4885MGLL 3/4885
US-10899737-B2 Piperazine carbamates and methods of making and using same ABHD6, RABL6, ABHD16A CYP2D6 386/4885TSHR 4711/4885MGLL 46/4885
US-20190202801-A1 PIPERAZINE CARBAMATES AND METHODS OF MAKING AND USING SAME ABHD6, RABL6, ABHD16A CYP2D6 386/4885TSHR 4711/4885MGLL 46/4885
US-10093635-B2 MAGL inhibitors MAG, MAGI3, MGLL CYP2D6 3916/4885TSHR 4772/4885MGLL 3/4885

“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.