SCHEMBL21723007

SCHEMBL21723007

Clc1ccccc1C#CC1CNC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
GRM5 P41594 2/20 0.37
CHRNA7 P36544 2/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
FFAR1 O14842 1/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
DYRK2 Q92630 1/20 0.32
ADRB1 P08588 1/20 0.32
HSD17B2 P37059 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
HTR1A P08908 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL21246857 0.82 KCNH2 (0.43) KCNH2GRM5CHRNA7PTGDR2CYP3A4
SCHEMBL29490274 0.82 KCNH2 (0.43) KCNH2GRM5CHRNA7PTGDR2CYP3A4
SCHEMBL31071600 0.82 KCNH2 (0.38) KCNH2GRM5CHRNA7ADRB1HTR1A
SCHEMBL21723366 0.82 KCNH2 (0.38) KCNH2GRM5CHRNA7ADRB1HTR1A
SCHEMBL22531091 0.79 HTR2C (0.34) ADRB1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL11236538 0.79 GRM5 (0.46) KCNH2GRM5CHRNA7PTGDR2FFAR1
SCHEMBL22462762 0.79 TSHR (0.42) GRM5CHRNA7FFAR1TSHRCHRM2
SCHEMBL22462945 0.79 CHRNB2 (0.39) KCNH2CYP3A4TSHRADRB1HTR1A
SCHEMBL31071568 0.79 CHRNB2 (0.39) KCNH2CYP3A4TSHRADRB1HTR1A
SCHEMBL11246729 0.78 GRM5 (0.49) KCNH2GRM5CHRNA7PTGDR2FFAR1

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
US-20260022130-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2026-01-22 US disclosed
US-12281124-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors HOFFMANN-LA ROCHE INC. (US) 2025-04-22 US disclosed
EP-4474017-A2 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-11 EP disclosed
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-3837264-A1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2021-06-23 EP disclosed
EP-3837263-A1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2021-06-23 EP disclosed
CN-112867720-A Novel heterocyclic compounds as monoacylglycerol lipase inhibitors 豪夫迈·罗氏有限公司 2021-05-28 CN disclosed
CN-112469724-A Novel heterocyclic compounds as monoacylglycerol lipase inhibitors 豪夫迈·罗氏有限公司 2021-03-09 CN disclosed
US-20200308190-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-10-01 US 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 (7 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 KCNH2 2915/4885GRM5 2837/4885CHRNA7 4522/4885
US-20260022130-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LIPA, LPL KCNH2 580/4885GRM5 3084/4885CHRNA7 1873/4885
US-12281124-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors LIPC, LPL, MGLL KCNH2 3236/4885GRM5 4060/4885CHRNA7 3949/4885
US-20240150373-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LPL, MGLL KCNH2 3236/4885GRM5 4060/4885CHRNA7 3949/4885
US-20200308190-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, MGLL, LPL KCNH2 3300/4885GRM5 3902/4885CHRNA7 3926/4885
US-11802133-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors LIPC, LPL, MGLL KCNH2 3236/4885GRM5 4060/4885CHRNA7 3949/4885
US-20230050901-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LPL, MGLL KCNH2 3236/4885GRM5 4060/4885CHRNA7 3949/4885

“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.