SCHEMBL5540748

SCHEMBL5540748

CC(C)(C)C(=O)NCCc1ccc2c(c1)OCO2

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
HSD17B10 Q99714 1/20 0.56
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
RAB9A P51151 5/20 0.53
NPC1 O15118 4/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 2/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
FAAH O00519 2/20 0.53
MEN1 O00255 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAPT P10636 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL2746740 0.89 FAAH (0.56) POLBHSD17B10ALDH1A1LMNASMN1; SMN2
SCHEMBL14679303 0.87 ALDH1A1 (0.54) POLBHSD17B10ALDH1A1LMNASMN1; SMN2
SCHEMBL28499785 0.86 FAAH (0.55) ALDH1A1LMNARAB9ANPC1KMT2A
SCHEMBL1709314 0.86 SMN1; SMN2 (0.68) HSD17B10ALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL11744707 0.84 HSD17B10 (0.70) POLBHSD17B10ALDH1A1LMNASMN1; SMN2
SCHEMBL179087 0.84 LMNA (0.60) ALDH1A1LMNASMN1; SMN2RAB9ANPC1
SCHEMBL28496847 0.83 SMN1; SMN2 (0.56) POLBHSD17B10ALDH1A1LMNASMN1; SMN2
SCHEMBL30544976 0.82 ALDH1A1 (0.62) ALDH1A1LMNASMN1; SMN2RAB9ANPC1
SCHEMBL2730357 0.82 ALDH1A1 (0.62) ALDH1A1LMNASMN1; SMN2RAB9ANPC1
SCHEMBL13853584 0.82 RAB9A (0.58) POLBHSD17B10ALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 POLB 3673/4885HSD17B10 2220/4885ALDH1A1 3505/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 POLB 3960/4885HSD17B10 1887/4885ALDH1A1 4132/4885

“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.