SCHEMBL2212796

SCHEMBL2212796

CCCCC(N)(CO)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNNC1 P63316 6/20 0.49
S1PR1 P21453 5/20 0.49
S1PR3 Q99500 4/20 0.49
S1PR4 O95977 3/20 0.49
S1PR5 Q9H228 2/20 0.49
SGPL1 O95470 1/20 0.49
GPR183 P32249 1/20 0.49
CERS2 Q96G23 1/20 0.49
SLC6A2 P23975 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
SPHK2 Q9NRA0 2/20 0.42
SPHK1 Q9NYA1 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
ENPP2 Q13822 1/20 0.42
S1PR2 O95136 2/20 0.40
CSNK1E P49674 1/20 0.40

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
SCHEMBL9517037 0.89 SLC6A2 (0.52) TNNC1S1PR1S1PR3S1PR4S1PR5
Hydrochloric Acid SCHEMBL2059947 0.87 SLC6A2 (0.50) TNNC1S1PR1S1PR3S1PR4S1PR5
Methylamine SCHEMBL27796046 0.87 SLC6A2 (0.50) TNNC1S1PR1S1PR3S1PR4S1PR5
SCHEMBL27893438 0.84 SLC6A2 (0.50) TNNC1S1PR1S1PR3S1PR4S1PR5
SCHEMBL1312633 0.84 S1PR1 (0.76) TNNC1S1PR1S1PR3S1PR4S1PR5
SCHEMBL6056161 0.82 SLC6A2 (0.48) TNNC1S1PR1S1PR3S1PR4S1PR5
SCHEMBL29107063 0.82 SLC6A2 (0.48) TNNC1S1PR1S1PR3S1PR4S1PR5
SCHEMBL11094959 0.82 SLC6A2 (0.48) TNNC1S1PR1S1PR3S1PR4S1PR5
SCHEMBL11097970 0.82 SLC6A2 (0.48) TNNC1S1PR1S1PR3S1PR4S1PR5
SCHEMBL28713655 0.82 SLC6A2 (0.48) TNNC1S1PR1S1PR3S1PR4S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10588894-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2020-03-17 US disclosed
US-20190022074-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY Therapeutics LLC 2019-01-24 US disclosed
EP-1689713-B1 BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER S DISEASE MERCK SHARP & DOHME (US) 2011-07-27 EP disclosed
EP-1689713-B1 BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER S DISEASE MERCK SHARP & DOHME (US) 2011-07-27 EP disclosed
EP-1689713-A4 BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER S DISEASE MERCK & CO INC (US) 2009-02-18 EP disclosed
US-7354942-B2 Benzylether and benzylamino beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK & CO., INC. (US) 2008-04-08 US disclosed
US-7354942-B2 Benzylether and benzylamino beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK & CO., INC. (US) 2008-04-08 US disclosed
US-7354942-B2 Benzylether and benzylamino beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK & CO., INC. (US) 2008-04-08 US disclosed
US-20070088165-A1 preventing the formation of insoluble A beta and arresting the production of A beta; beta-site amyloid precursor protein-cleaving enzyme; 3-[(2-amino-2-methyl-3-phenylpropoxy)methyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-[methyl(methylsulfonyl)amino]benzamide MERCK SHARP & DOHME LLC 2007-04-19 US disclosed
US-20070088165-A1 preventing the formation of insoluble A beta and arresting the production of A beta; beta-site amyloid precursor protein-cleaving enzyme; 3-[(2-amino-2-methyl-3-phenylpropoxy)methyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-[methyl(methylsulfonyl)amino]benzamide MERCK SHARP & DOHME LLC 2007-04-19 US disclosed
US-20070088165-A1 preventing the formation of insoluble A beta and arresting the production of A beta; beta-site amyloid precursor protein-cleaving enzyme; 3-[(2-amino-2-methyl-3-phenylpropoxy)methyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-[methyl(methylsulfonyl)amino]benzamide MERCK SHARP & DOHME LLC 2007-04-19 US disclosed
EP-1689713-A1 BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER S DISEASE Merck & Co., Inc. (US) 2006-08-16 EP disclosed
WO-2005051914-A1 BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2005-06-09 WO disclosed
WO-2005051914-A1 BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2005-06-09 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 (3 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-10588894-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS TNNC1 4054/4885S1PR1 3002/4885S1PR3 3206/4885
US-20190022074-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS TNNC1 4054/4885S1PR1 3002/4885S1PR3 3206/4885
US-20070088165-A1 preventing the formation of insoluble A beta and arresting the production of A beta; beta-site amyloid precursor protein-cleaving enzyme; 3-[(2-amino-2-methyl-3-phenylpropoxy)methyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-[methyl(methylsulfonyl)amino]benzamide BACE1, BACE2, APP TNNC1 3576/4885S1PR1 1639/4885S1PR3 1974/4885

“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.