SCHEMBL2746437

SCHEMBL2746437

C[C](C)C(=O)N1CCC(C(=O)NC(N)=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
GAA P10253 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
CYP2D6 P10635 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CRBN Q96SW2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.34
TSHR P16473 1/20 0.34
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
REV1 Q9UBZ9 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 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
SCHEMBL2746616 0.76 HSD17B10 (0.45) ALDH1A1GAAMAPTHSD17B10TSHR
SCHEMBL21597725 0.74
SCHEMBL2746500 0.71 GAA (0.39) GAASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL23368629 0.71 HDAC8 (0.52) ALDH1A1SMN1; SMN2MAPTPOLBHPGD
SCHEMBL2746901 0.71 CYP1A2 (0.37) ALDH1A1GAASMN1; SMN2KMT2APOLB
SCHEMBL917236 0.69 HDAC8 (0.56) ALDH1A1MAPTPOLBHPGDMAPK1
SCHEMBL13804074 0.68 GAA (0.42) ALDH1A1GAASMN1; SMN2MAPTPOLB
SCHEMBL3886733 0.67 HDAC3 (0.45) SMN1; SMN2MEN1KMT2AHSD17B10MAPK1
SCHEMBL2744881 0.66 LMNA (0.47) GAAMAPTHSD17B10TSHR
SCHEMBL2745870 0.66 GAA (0.51) ALDH1A1GAASMN1; SMN2POLBTSHR

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-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. 2012-08-16 US disclosed
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-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative SHIONOGI & CO. LTD. (JP) 2008-05-01 US disclosed
EP-1806342-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2007-07-11 EP 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 (2 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-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES CNR2, CNR1, HRH4 ALDH1A1 3505/4885GAA 4010/4885SMN1; SMN2 4550/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 ALDH1A1 4132/4885GAA 4580/4885SMN1; SMN2 4482/4885

“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.