SCHEMBL2803737

SCHEMBL2803737

CCCCCCCC(C(=O)OCC)C(Cl)Cl

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.44
GPR84 Q9NQS5 7/20 0.41
FFAR1 O14842 1/20 0.41
MAPT P10636 1/20 0.40
CPB2 Q96IY4 1/20 0.40
LCK P06239 1/20 0.40
PPARD Q03181 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
FAAH O00519 2/20 0.39
CA2 P00918 1/20 0.39
SMPD1 P17405 2/20 0.38

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
SCHEMBL260349 1.00 ZDHHC7 (0.44) ZDHHC7GPR84FFAR1MAPTCPB2
SCHEMBL4119282 0.98 ZDHHC7 (0.42) ZDHHC7GPR84FFAR1MAPTCPB2
Acetic Acid SCHEMBL9301447 0.95 GPR84 (0.42) ZDHHC7GPR84FFAR1MAPTCPB2
SCHEMBL7070785 0.88 ZDHHC7 (0.50) ZDHHC7GPR84FFAR1MAPTCPB2
SCHEMBL19690704 0.88 ZDHHC7 (0.50) ZDHHC7GPR84FFAR1MAPTCPB2
SCHEMBL6772533 0.88 GPR84 (0.42) ZDHHC7GPR84FFAR1MAPTCPB2
SCHEMBL13269368 0.86 ZDHHC7 (0.47) ZDHHC7GPR84FFAR1MAPTCPB2
SCHEMBL17713606 0.83 ZDHHC7 (0.46) ZDHHC7GPR84FFAR1MAPTCPB2
SCHEMBL2535153 0.81 LMNA (0.45) ZDHHC7GPR84FFAR1MAPTCPB2
SCHEMBL29186605 0.81 GPR84 (0.46) ZDHHC7GPR84FFAR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110845381-A Preparation method of pre-alpha-calciferol 重庆医药高等专科学校 2020-02-28 CN disclosed
EP-1986694-B1 COUPLING OF POLYPEPTIDES AT THE C-TERMINUS NOVO NORDISK HEALTHCARE AG (CH) 2015-06-10 EP disclosed
US-20140045753-A1 COUPLING OF POLYPEPTIDES AT THE C-TERMINUS NOVO NORDISK HEALTH CARE AG (CH) 2014-02-13 US disclosed
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
CN-101141959-B 2, 5-disubstituted benzophenone derivatives as glycine transporter 1(GlyT-1) inhibitors for the treatment of neurological and neuropsychiatric disorders HOFFMANN LA ROCHE 2010-12-15 CN disclosed
CN-101137363-B [4- (heteroaryl) piperazin-1-yl ] - (2, 5-substituted-phenyl) methanone derivatives as glycine transporter 1(GlyT-1) inhibitors for the treatment of neurological and neuropsychiatric disorders HOFFMANN LA ROCHE 2010-09-15 CN disclosed
EP-1838308-B1 [4-(HETEROARYL)PIPERAZIN-1-YL]-(2,5-SUBSTITUTED -PHENYL)METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS HOFFMANN LA ROCHE (CH) 2010-06-30 EP disclosed
US-20100105617-A1 C-Terminal Attachment of Two Chemical Groups to Peptides NOVO NORDISK HEALTH CARE AG (CH) 2010-04-29 US disclosed
EP-2121725-A1 C-TERMINAL ATTACHMENT OF TWO CHEMICAL GROUPS TO PEPTIDES Novo Nordisk Health Care AG (CH) 2009-11-25 EP disclosed
EP-1848694-B1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 HOFFMANN LA ROCHE (CH) 2009-11-25 EP disclosed
WO-2006072436-A1 [4-(HETEROARYL) PIPERAZIN-1-YL]-(2,5-SUBSTITUTED -PHENYL)METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-13 WO disclosed
WO-2006045429-A1 HALOGEN SUBSTITUTED BENZODIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-05-04 WO disclosed
US-20060084801-A1 Halogen substituted imidazol[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-04-20 US disclosed
US-20050209241-A1 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. 2005-09-22 US disclosed
US-6555570-B2 Growth hormone secretagogous with improved bioavailability NOVO NORDISK A/S (DE) 2003-04-29 US disclosed
US-20030040483-A1 Compounds with growth hormone releasing properties HELSINN THERAPEUTICS (U.S.), INC. 2003-02-27 US disclosed
US-6127391-A A PEPTIDE MIMETIC COMPOUND FOR STIMULATING THE RELEASE OF GROWTH HORMONE FROM THE PITUITARY NOVO NORDISK A/S (DK) 2000-10-03 US disclosed
US-5977178-A Compounds with growth hormone releasing properties NOVO NORDISK A/S (DK) 1999-11-02 US disclosed
EP-0869974-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1998-10-14 EP disclosed
WO-1997023508-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-07-03 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 (5 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-20050209241-A1 Benzoyl-piperazine derivatives SLC1A2, SLC18A2, SLC6A7 ZDHHC7 854/4885GPR84 339/4885FFAR1 2553/4885
US-20100105617-A1 C-Terminal Attachment of Two Chemical Groups to Peptides PTMS, DNPEP, VIP ZDHHC7 1871/4885GPR84 3307/4885FFAR1 4538/4885
US-20060084801-A1 Halogen substituted imidazol[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives GABRA1, GABRA4, GABRA5 ZDHHC7 2099/4885GPR84 602/4885FFAR1 394/4885
US-20140045753-A1 COUPLING OF POLYPEPTIDES AT THE C-TERMINUS PTMS, VIP, LNPEP ZDHHC7 3257/4885GPR84 2509/4885FFAR1 4610/4885
US-20030040483-A1 Compounds with growth hormone releasing properties GHRHR, GHSR, GRPR ZDHHC7 1180/4885GPR84 172/4885FFAR1 137/4885

“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.