SCHEMBL7468895

SCHEMBL7468895

Cc1ncc(CCC(=O)O)cn1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.55
KEAP1 Q14145 1/20 0.48
FFAR1 O14842 14/20 0.46
NPSR1 Q6W5P4 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TBXAS1 P24557 1/20 0.41

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
SCHEMBL27924944 0.88 SMN1; SMN2 (0.52) P4HTMFFAR1LMNAL3MBTL1TBXAS1
SCHEMBL5296032 0.85 MAPT (0.55) TBXAS1
SCHEMBL25219823 0.79 P4HTM (0.55) P4HTMKEAP1FFAR1FFAR4TBXAS1
SCHEMBL7390689 0.79 P4HTM (0.55) P4HTMKEAP1FFAR1FFAR4TBXAS1
SCHEMBL25214681 0.79 P4HTM (0.55) P4HTMKEAP1FFAR1FFAR4LMNA
SCHEMBL5521447 0.79 P4HTM (0.50) P4HTMKEAP1FFAR1NPSR1FFAR4
SCHEMBL9105603 0.79 TSHR (0.43) LMNA
SCHEMBL990694 0.79 TSHR (0.64) P4HTMKEAP1FFAR1FFAR4LMNA
SCHEMBL4426932 0.79 P4HTM (0.50) P4HTMKEAP1FFAR1FFAR4LMNA
SCHEMBL7017455 0.78 GABRP (0.52) P4HTMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
US-20090023729-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-22 US disclosed
US-20090023729-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-22 US disclosed
EP-1173424-A1 PYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2002-01-23 EP disclosed
WO-2000066566-A1 PYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2000-11-09 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 (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-20090023729-A1 Trisubstituted amine compound CETP, MTTP, APOB P4HTM 2230/4885KEAP1 1511/4885FFAR1 574/4885

“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.