SCHEMBL8370926

SCHEMBL8370926

CNc1cccc(C(C)C)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.42
NCF1 P14598 2/20 0.42
KCNH2 Q12809 2/20 0.42
SCN5A Q14524 1/20 0.42
MCHR1 Q99705 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
APP P05067 4/20 0.35
NUDT1 P36639 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
SYK P43405 1/20 0.33
KIF18A Q8NI77 1/20 0.33
CCR4 P51679 1/20 0.33
XIAP P98170 1/20 0.33
BIRC2 Q13490 1/20 0.33

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
Hydrochloric Acid SCHEMBL28522060 0.98 HSD11B1 (0.41) HSD11B1NCF1KCNH2SCN5AMCHR1
SCHEMBL23226823 0.83 KCNH2 (0.40) HSD11B1NCF1KCNH2SCN5AMCHR1
SCHEMBL6178948 0.83 HSD11B1 (0.45) HSD11B1NCF1KCNH2SCN5AMCHR1
SCHEMBL24802470 0.81 NCF1 (0.41) HSD11B1NCF1KCNH2SCN5AMCHR1
SCHEMBL17658884 0.81 HSD11B1 (0.41) HSD11B1KCNH2SMN1; SMN2APPCYP3A4
SCHEMBL12915415 0.79 HSD11B1 (0.40) HSD11B1KCNH2SMN1; SMN2SYKKIF18A
SCHEMBL786336 0.78 PGK1 (0.39) HSD11B1SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL318096 0.78 KCNH2 (0.57) HSD11B1NCF1KCNH2SCN5ASMN1; SMN2
SCHEMBL13478003 0.78 CACNA1C (0.49) HSD11B1NCF1KCNH2SCN5ASMN1; SMN2
SCHEMBL14599972 0.78 HSD11B1 (0.49) HSD11B1KCNH2SMN1; SMN2SYKKIF18A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4328230-A2 AMINO ACID COMPOUNDS AND METHODS OF USE Pliant Therapeutics, Inc. (US) 2024-02-28 EP disclosed
US-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS INC (US) 2023-08-31 US disclosed
US-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS PLIANT THERAPEUTICS INC (US) 2023-06-15 US disclosed
US-20230028658-A1 EXPANDED DOSAGE REGIMENS FOR INTEGRIN INHIBITORS PLIANT THERAPEUTICS INC (US) 2023-01-26 US disclosed
US-11419869-B2 Dosage forms and regimens for amino acid compounds PLIANT THERAPEUTICS, INC. (US) 2022-08-23 US disclosed
CN-112423758-A Adenosine receptor binding compounds 尼康治疗公司 2021-02-26 CN disclosed
US-20200352942-A1 DOSAGE FORMS AND REGIMENS FOR AMINO ACID COMPOUNDS PLIANT THERAPEUTICS, INC. 2020-11-12 US disclosed
US-10696719-B2 Nucleoside triphosphate transporter and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2020-06-30 US disclosed
US-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 US disclosed
US-10221162-B2 Triazole agonists of the APJ receptor AMGEN INC. (US) 2019-03-05 US disclosed
CN-101868457-B (3-hydroxy-4-amino-but-2-yl) -3- (2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for use in therapy COMENTIS INC 2013-02-13 CN disclosed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
CN-101868457-A (3-hydroxy-4-amino-but-2-yl) -3- (2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for use in therapy COMENTIS INC 2010-10-20 CN disclosed
CN-101821238-A Suppress the active isophthaloyl sulfonamide derivatives of beta-secretase (BETA-SECRETASE) COMENTIS INC 2010-09-01 CN disclosed
US-7655624-B2 Antiinflammatory agents; osteoporosis; cardiovascular disorders; coating for prosthetics BIOMET DEUTSCHLAND GMBH (DE) 2010-02-02 US disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US disclosed
US-7276482-B2 Peptide and peptide mimetic derivatives with integrin-inhibitors properties II BIOMET DEUTSCHLAND GMBH (DE) 2007-10-02 US disclosed
US-7241789-B2 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICAL, INC. (US) 2007-07-10 US disclosed
US-6881736-B1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2005-04-19 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 (9 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-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 HSD11B1 4397/4885NCF1 212/4885KCNH2 2136/4885
US-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 HSD11B1 3775/4885NCF1 4035/4885KCNH2 3/4885
US-11419869-B2 Dosage forms and regimens for amino acid compounds ITGB6, ITGA6, ITGAV HSD11B1 4060/4885NCF1 324/4885KCNH2 2930/4885
US-10221162-B2 Triazole agonists of the APJ receptor TBXA2R, AGTR1, AGTR2 HSD11B1 886/4885NCF1 3184/4885KCNH2 1006/4885
US-10696719-B2 Nucleoside triphosphate transporter and uses thereof SLC35B2, SLC29A2, PNP HSD11B1 3617/4885NCF1 1323/4885KCNH2 3795/4885
US-20200352942-A1 DOSAGE FORMS AND REGIMENS FOR AMINO ACID COMPOUNDS ITGB6, ITGA6, ITGAV HSD11B1 4060/4885NCF1 324/4885KCNH2 2930/4885
US-20230028658-A1 EXPANDED DOSAGE REGIMENS FOR INTEGRIN INHIBITORS ITGB6, ITGAV, ITGA6 HSD11B1 4037/4885NCF1 265/4885KCNH2 1692/4885
US-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS ITGA5, ITGAL, ITGB5 HSD11B1 4042/4885NCF1 1663/4885KCNH2 1215/4885
US-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 HSD11B1 2692/4885NCF1 1935/4885KCNH2 4651/4885

“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.