SCHEMBL2218978

SCHEMBL2218978

CC(C)(C)OC(=O)CCCC(N)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.46
CYP1A2 P05177 3/20 0.44
GRM8 O00222 1/20 0.44
GRM6 O15303 1/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIK1 P39086 1/20 0.44
GRM5 P41594 1/20 0.44
GRIA1 P42261 1/20 0.44
GRIA2 P42262 1/20 0.44
GRIA3 P42263 1/20 0.44
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
GRIA4 P48058 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIK2 Q13002 1/20 0.44
GRIK3 Q13003 1/20 0.44
GRIN2B Q13224 1/20 0.44

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
SCHEMBL29891046 1.00 GSR (0.46) GSRCYP1A2GRM8GRM6GRIN2D
SCHEMBL12463782 1.00 GSR (0.46) GSRCYP1A2GRM8GRM6GRIN2D
SCHEMBL825904 0.95 GSR (0.48) GSRCYP1A2GRM8GRM6GRIN2D
SCHEMBL29579375 0.93 GSR (0.47) GSRCYP1A2GRM8GRM6GRIN2D
SCHEMBL3858559 0.93 GSR (0.47) GSRCYP1A2GRM8GRM6GRIN2D
SCHEMBL5968392 0.93 GSR (0.47) GSRCYP1A2GRM8GRM6GRIN2D
SCHEMBL4758907 0.93 GSR (0.47) GSRCYP1A2GRM8GRM6GRIN2D
SCHEMBL172526 0.89 SLC1A1 (0.52) GSRCYP1A2GRM8GRM6GRIN2D
SCHEMBL1411236 0.89 SLC1A1 (0.52) GSRCYP1A2GRM8GRM6GRIN2D
SCHEMBL130831 0.89 SLC1A1 (0.52) GSRCYP1A2GRM8GRM6GRIN2D

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
CN-116178293-B Myelin specific magnetic resonance contrast agent, preparation method and application thereof 滨州医学院附属医院 2025-05-09 CN disclosed
WO-2023143608-A1 COMPOSITION, METHOD FOR PREPARING SAME, AND USE THEREOF 上海复东生物医药有限责任公司 2023-08-03 WO disclosed
CN-116178293-A Myelin specific magnetic resonance contrast agent, preparation method and application thereof 滨州医学院附属医院 2023-05-30 CN disclosed
EP-3305900-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES Nuevolution A/S (DK) 2018-04-11 EP disclosed
CN-1950343-B Amine-based basic compound and use thereof KUREHA CORP 2013-06-19 CN disclosed
US-8263608-B2 Melanocortin receptor-specific spiro-piperidine compounds PALATIN TECHNOLOGIES, INC. (US) 2012-09-11 US disclosed
US-20110178080-A1 Melanocortin Receptor-Specific Spiro-Piperidine Compounds PALATIN TECHNOLOGIES, INC. (US) 2011-07-21 US disclosed
WO-2010037081-A1 MELANOCORTIN RECEPTOR-SPECIFIC SPIRO-PIPERIDINE COMPOUNDS PALATIN TECHNOLOGIES, INC. (US) 2010-04-01 WO disclosed
CN-101605756-A The water-soluble prodrug of florfenicol and analogue thereof SCHERING PLOUGH LTD (CH) 2009-12-16 CN disclosed
CN-101094840-A Quinazoline derivatives for inhibiting the growth of cancer cells and methods for preparing the same HANMI PHARM IND CO LTD (KR) 2007-12-26 CN disclosed
CN-1950343-A Amine-based basic compound and use thereof KUREHA CORP (JP) 2007-04-18 CN disclosed
EP-1590334-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-11-02 EP disclosed
WO-2004067516-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-08-12 WO disclosed
WO-1995023811-A1 NOVEL CARBOCYCLIC COMPOUNDS WHICH INHIBIT PLATELET AGGREGATION BY INTERACTION WITH THE GPIIB/IIIA RECEPTOR COMPLEX THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-09-08 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 (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-20110178080-A1 Melanocortin Receptor-Specific Spiro-Piperidine Compounds MC1R, MC5R, MC3R GSR 3006/4885CYP1A2 2616/4885GRM8 383/4885

“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.