Sugi Predict

Sugi Predict / Compounds / SCHEMBL21722951

SCHEMBL21722951

SCHEMBL21722951

Clc1cccc(C#CC2CCNCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 3/20 0.42
▸ HTR1A P08908 2/20 0.42
▸ THRB P10828 2/20 0.42
▸ HTR3E A5X5Y0 1/20 0.42
▸ HTR3B O95264 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ ADRB1 P08588 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ HTR3A P46098 1/20 0.42
▸ HTR6 P50406 1/20 0.42
▸ HTR3D Q70Z44 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
SCHEMBL21258034 0.88 KCNH2 (0.47) CYP2D6CYP2C9GRM5CHRNB2CHRNA4
SCHEMBL22462840 0.83 KCNH2 (0.44) SLC6A4HTR1ATHRBHTR3EHTR3B
SCHEMBL21722912 0.80 HTR3A (0.42) SLC6A4HTR3EHTR3BADRB1HTR3A
SCHEMBL1200030 0.79 SIGMAR1 (0.45) HTR3EHTR3BCYP1A2ADRB1CYP2D6
Hydrochloric Acid SCHEMBL1532735 0.78 SIGMAR1 (0.44) HTR3EHTR3BADRB1CYP2D6HTR2C
Hydrochloric Acid SCHEMBL31556501 0.76 HTR2C (0.55) SLC6A4THRBHTR3EHTR3BHTR2C
SCHEMBL21722829 0.74 NOS2 (0.41) SLC6A4HTR1AHTR2AHTR2CHTR2B
SCHEMBL1581685 0.74 GRM5 (0.43) HTR1ACYP3A4HTR2AHTR7HTR6
SCHEMBL4562631 0.72 KCNH2 (0.67) CYP2D6CYP2C9GRM5KCNH2HAO1
SCHEMBL30707869 0.72 KCNH2 (0.67) CYP2D6CYP2C9GRM5KCNH2HAO1

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-3837263-A1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2021-06-23 — — EP disclosed
EP-3837264-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-2020035424-A1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2020-02-20 — — WO disclosed
WO-2020035425-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 SLC6A4 4860/4885HTR1A 2476/4885THRB 3182/4885
US-20260022130-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LIPA, LPL SLC6A4 4451/4885HTR1A 1504/4885THRB 1919/4885
US-12281124-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors LIPC, LPL, MGLL SLC6A4 4796/4885HTR1A 1401/4885THRB 2921/4885
US-20240150373-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LPL, MGLL SLC6A4 4796/4885HTR1A 1401/4885THRB 2921/4885
US-20200308190-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, MGLL, LPL SLC6A4 4776/4885HTR1A 1619/4885THRB 2993/4885
US-11802133-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors LIPC, LPL, MGLL SLC6A4 4796/4885HTR1A 1401/4885THRB 2921/4885
US-20230050901-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LPL, MGLL SLC6A4 4796/4885HTR1A 1401/4885THRB 2921/4885

“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.