SCHEMBL19974330

SCHEMBL19974330

CC(C)(C)OC(=O)N1CCN(Cc2cc(Br)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.53
TSHR P16473 1/20 0.53
MGLL Q99685 5/20 0.49
TACR1 P25103 1/20 0.48
USP2 O75604 4/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.45
STS P08842 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C9 P11712 1/20 0.43
GPR183 P32249 1/20 0.42
CYP3A4 P08684 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DDR1 Q08345 1/20 0.42
VEGFA P15692 1/20 0.41
EGLN1 Q9GZT9 1/20 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
SCHEMBL25641385 0.91 CYP2D6 (0.49) CYP2D6TSHRMGLLTACR1USP2
SCHEMBL20151867 0.88 TSHR (0.58) CYP2D6TSHRMGLLTACR1USP2
SCHEMBL20137044 0.87 CYP2D6 (0.54) CYP2D6TSHRMGLLTACR1USP2
SCHEMBL447202 0.86 CYP2D6 (0.53) CYP2D6TSHRMGLLTACR1USP2
SCHEMBL27167164 0.86 GPR183 (0.48) CYP2D6TSHRMGLLCYP2C19CYP2C9
SCHEMBL20137136 0.85 CYP2D6 (0.52) CYP2D6TSHRMGLLTACR1USP2
SCHEMBL15264271 0.83 STS (0.50) MGLLSTSGPR183L3MBTL1VEGFA
SCHEMBL20503443 0.83 CYP2D6 (0.50) CYP2D6TSHRMGLLTACR1USP2
SCHEMBL16528665 0.82 VEGFA (0.42) MGLLVEGFAEGLN1
SCHEMBL8535869 0.82 FAAH (0.60) MGLLTACR1ALDH1A1

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 15 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
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
EP-3515897-A1 PIPERAZINE CARBAMATES AND METHODS OF MAKING AND USING SAME Abide Therapeutics, Inc. (US) 2019-07-31 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
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
US-20180134674-A1 MAGL INHIBITORS H. LUNDBECK A/S (DK) 2018-05-17 US disclosed
WO-2018053447-A1 PIPERAZINE CARBAMATES AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2018-03-22 WO disclosed
WO-2018053447-A1 PIPERAZINE CARBAMATES AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2018-03-22 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 (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.