SCHEMBL4580987

SCHEMBL4580987

CCCC1(C(=O)O)CCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.46
CETP P11597 2/20 0.38
TBXAS1 P24557 2/20 0.35
FFAR3 O14843 1/20 0.35
CYP4F2 P78329 2/20 0.32
CYP4A11 Q02928 2/20 0.32
MME P08473 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL4277564 0.95 CYP2C19 (0.52) CYP2C19CETPTBXAS1FFAR3CYP4F2
SCHEMBL887735 0.93 CYP2C19 (0.56) CYP2C19CETPTBXAS1FFAR3CYP4F2
Hydrochloric Acid SCHEMBL9565686 0.91 CYP2C19 (0.54) CYP2C19CETPTBXAS1CYP4F2CYP4A11
SCHEMBL3153596 0.90
Hydrochloric Acid SCHEMBL11613521 0.88 CYP2C19 (0.38) CYP2C19CETPTBXAS1FFAR3MME
SCHEMBL1327047 0.86 CYP2C19 (0.43) CYP2C19CETPTBXAS1CYP4F2CYP4A11
SCHEMBL1911583 0.85 CETP (0.42) CYP2C19CETPTBXAS1CYP4F2CYP4A11
Cyanide SCHEMBL11468844 0.84 CYP2C19 (0.35) CYP2C19CETPFFAR3
SCHEMBL5610724 0.83 TBXAS1 (0.44) CYP2C19CETPTBXAS1CYP4F2CYP4A11
SCHEMBL3953039 0.82 CYP2C19 (0.48) CYP2C19CETPTBXAS1CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-3147284-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Incorporated (US) 2017-03-29 EP disclosed
US-7423067-B2 N-(3,4-diphenyl-2-butyl)cyclopentancarboxamide derivatives such as N-(2,3-bis(4-chlorophenyl)-1-methylpropyl)-3-benzoyl-cyclopentane-carboxamide; used for treating conditions including psychological disorders, eating disorders and substance abuse MERCK & CO., INC. (US) 2008-09-09 US disclosed
US-7423067-B2 N-(3,4-diphenyl-2-butyl)cyclopentancarboxamide derivatives such as N-(2,3-bis(4-chlorophenyl)-1-methylpropyl)-3-benzoyl-cyclopentane-carboxamide; used for treating conditions including psychological disorders, eating disorders and substance abuse MERCK & CO., INC. (US) 2008-09-09 US disclosed
US-7423067-B2 N-(3,4-diphenyl-2-butyl)cyclopentancarboxamide derivatives such as N-(2,3-bis(4-chlorophenyl)-1-methylpropyl)-3-benzoyl-cyclopentane-carboxamide; used for treating conditions including psychological disorders, eating disorders and substance abuse MERCK & CO., INC. (US) 2008-09-09 US disclosed
US-20080076805-A1 Acyclic Hydrazides as Cannabinoid Receptor Modulators MERCK SHARP & DOHME CORP. 2008-03-27 US disclosed
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
EP-1807388-A2 ACYCLIC HYDRAZIDES AS CANNABINOID RECEPTOR MODULATORS Merck & Co., Inc. (US) 2007-07-18 EP disclosed
EP-1490043-A4 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO INC (US) 2007-05-30 EP disclosed
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 WO disclosed
WO-2003082190-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-10-09 WO disclosed
US-4833157-A ANTIULCER AGENTS MILES INC. (US) 1989-05-23 US disclosed
US-4742080-A Therapeutic method for producing bronchodilation by administration of 15-deoxy-16-hydroxy prostaglandin esters MILES LABORATORIES, INC. (US) 1988-05-03 US disclosed
US-4415592-A ANTISECRETORY AND HYPOTENSIVE AGENTS MILES LABORATORIES, INC. (US) 1983-11-15 US disclosed
US-4331688-A Therapeutic method for inhibiting gastric secretion by administration of 15-deoxy-16-hydroxy prostaglandins MILES LABORATORIES, INC. (US) 1982-05-25 US disclosed
US-4275224-A BRONCHODIALATORS AND ANTI-GASTRIC SECRETION AGENTS MILES LABORATORIES, INC. (US) 1981-06-23 US disclosed
US-4132738-A BRONCHODILATORS, ANTISECRETORY AGENTS MILES LABORATORIES, INC. (US) 1979-01-02 US disclosed
US-4117119-A 15-CYCLOBUTYL-PROSTAGLANDINS ONO PHARMACEUTICAL COMPANY (JP) 1978-09-26 US disclosed
US-4045468-A GASTRIC ULCERS ONO PHARMACEUTICAL COMPANY (JA) 1977-08-30 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 (1 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-20080076805-A1 Acyclic Hydrazides as Cannabinoid Receptor Modulators CNR1, CNR2, FAAH CYP2C19 1036/4885CETP 3170/4885TBXAS1 467/4885

“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.