SCHEMBL1817856

SCHEMBL1817856

O=C(O)[C@H]1CNC[C@@H]1c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.59
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
ROCK2 O75116 2/20 0.48
MC4R P32245 1/20 0.46
FFAR1 O14842 1/20 0.45
HDAC4 P56524 1/20 0.44
KCNH2 Q12809 1/20 0.44
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SSTR4 P31391 1/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C1 Q04828 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
SCHEMBL2738528 1.00 BACE1 (0.59) BACE1MAPTPKMROCK2MC4R
SCHEMBL1817859 1.00 BACE1 (0.59) BACE1MAPTPKMROCK2MC4R
SCHEMBL1817862 1.00 BACE1 (0.59) BACE1MAPTPKMROCK2MC4R
SCHEMBL7887515 0.85 BACE1 (0.56) BACE1MAPTPKMROCK2MC4R
SCHEMBL22072253 0.85 BACE1 (0.56) BACE1MAPTPKMROCK2MC4R
SCHEMBL23951521 0.85 BACE1 (0.56) BACE1MAPTPKMROCK2MC4R
SCHEMBL1814898 0.85 BACE1 (0.46) BACE1MAPTPKMROCK2MC4R
SCHEMBL22279795 0.85 BACE1 (0.56) BACE1MAPTPKMROCK2MC4R
SCHEMBL30114606 0.85 BACE1 (0.56) BACE1MAPTPKMROCK2MC4R
SCHEMBL19532502 0.85 BACE1 (0.56) BACE1MAPTPKMROCK2MC4R

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 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2068878-A2 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-06-17 EP claimed
US-20080161297-A1 e.g. N-(7-Chloro-1-oxo-1,2-dihydro-isoquinolin-6-yl)-2-dimethylamino-2-phenyl-acetamide; hypertension, atherosclerosis, restenosis, stroke, heart failure, coronary vasospasm, cerebral vasospasm, ischemia/reperfusion injury, pulmonary hypertension, angina, myocardial infarction, ALCON INC. (CH) 2008-07-03 US claimed
WO-2008036540-A2 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-03-27 WO claimed
EP-4747882-A1 DATA STORAGE USING PROTEINS The Hong Kong Polytechnic University (CN) 2026-05-27 EP disclosed
US-20250108031-A1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO BACH BIOSCIENCES, LLC 2025-04-03 US disclosed
WO-2025015598-A1 DATA STORAGE USING PROTEINS THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2025-01-23 WO disclosed
US-20240398842-A1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO BACH BIOSCIENCES, LLC 2024-12-05 US disclosed
US-12121505-B2 Fap-activated therapeutic agents, and uses related thereto BACH BIOSCIENCES, LLC (US) 2024-10-22 US disclosed
US-12053450-B2 FAP-activated therapeutic agents, and uses related thereto BACH BIOSCIENCES, LLC (US) 2024-08-06 US disclosed
US-12023316-B2 FAP-activated therapeutic agents, and uses related thereto BACH BIOSCIENCES, LLC (US) 2024-07-02 US disclosed
CN-113967258-B FAP-activated therapeutic agents and related uses 塔夫茨大学信托人 2024-07-02 CN disclosed
WO-2008119005-A1 3,4-DEHYDRO-PROLINE-CONTAINING INHIBITORS OF DIPEPTIDYLPEPTIDASE IV TRUSTEES OF TUFTS COLLEGE (US) 2008-10-02 WO disclosed
WO-2008116053-A2 FAP-ACTIVATED CHEMOTHERAPEUTIC COMPOUNDS, AND METHODS OF USE THEREOF TRUSTEES OF TUFTS COLLEGE (US) 2008-09-25 WO disclosed
WO-2008116054-A1 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN, AND METHODS OF USE THEREOF TRUSTEES OF TUFTS COLLEGE (US) 2008-09-25 WO disclosed
EP-1948243-A2 POLYCATION-POLYANION COMPLEXES, COMPOSITIONS AND METHODS OF USE THEREOF Aeris Therapeutics, Inc. (US) 2008-07-30 EP disclosed
US-20080161297-A1 e.g. N-(7-Chloro-1-oxo-1,2-dihydro-isoquinolin-6-yl)-2-dimethylamino-2-phenyl-acetamide; hypertension, atherosclerosis, restenosis, stroke, heart failure, coronary vasospasm, cerebral vasospasm, ischemia/reperfusion injury, pulmonary hypertension, angina, myocardial infarction, ALCON INC. (CH) 2008-07-03 US disclosed
WO-2008036540-A2 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-03-27 WO disclosed
US-20070265255-A1 SYNTHESIS, STRUCTURE AND USE OF BISOXAZOLIDINES FOR ASYMMETRIC CATALYSIS AND SYNTHESIS GEORGETOWN UNIVERSITY 2007-11-15 US disclosed
WO-2007055950-A2 POLYCATION-POLYANION COMPLEXES, COMPOSITIONS AND METHODS OF USE THEREOF AERIS THERAPEUTICS, INC. (US) 2007-05-18 WO disclosed
US-20070110813-A1 Polycation-polyanion complexes, compositions and methods of use thereof AERIS THERAPEUTICS, INC. (US) 2007-05-17 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 (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-12121505-B2 Fap-activated therapeutic agents, and uses related thereto FAP, FIBP, GOT1 BACE1 1070/4885MAPT 3925/4885PKM 3315/4885
US-20250108031-A1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO FAP, FIBP, GOT1 BACE1 1070/4885MAPT 3925/4885PKM 3315/4885
US-12023316-B2 FAP-activated therapeutic agents, and uses related thereto FAP, FIBP, GOT1 BACE1 1070/4885MAPT 3925/4885PKM 3315/4885
US-20070265255-A1 SYNTHESIS, STRUCTURE AND USE OF BISOXAZOLIDINES FOR ASYMMETRIC CATALYSIS AND SYNTHESIS ADH5, ADH1C, ADH1A BACE1 3471/4885MAPT 2499/4885PKM 825/4885
US-12053450-B2 FAP-activated therapeutic agents, and uses related thereto FAP, FIBP, GOT1 BACE1 1070/4885MAPT 3925/4885PKM 3315/4885
US-20080161297-A1 e.g. N-(7-Chloro-1-oxo-1,2-dihydro-isoquinolin-6-yl)-2-dimethylamino-2-phenyl-acetamide; hypertension, atherosclerosis, restenosis, stroke, heart failure, coronary vasospasm, cerebral vasospasm, ischemia/reperfusion injury, pulmonary hypertension, angina, myocardial infarction, ROCK1, ROCK2, ARHGDIA BACE1 4514/4885MAPT 3393/4885PKM 2058/4885
US-20240398842-A1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO FAP, FIBP, GOT1 BACE1 853/4885MAPT 3818/4885PKM 3543/4885

“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.