SCHEMBL2746737

SCHEMBL2746737

C[C](C(N)=O)C(=O)NCCc1ccc2c(c1)OCO2

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ALDH1A1 P00352 1/20 0.52
LMNA P02545 2/20 0.51
RAB9A P51151 3/20 0.50
FAAH O00519 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP3A4 P08684 1/20 0.50
MEN1 O00255 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HPGD P15428 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49

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
SCHEMBL179087 0.86 LMNA (0.60) ALDH1A1LMNARAB9AFAAHKMT2A
SCHEMBL11744707 0.84 HSD17B10 (0.70) POLBHSD17B10ALDH1A1LMNARAB9A
SCHEMBL4741336 0.84 LMNA (0.57) ALDH1A1LMNARAB9AFAAHKMT2A
SCHEMBL2746740 0.81 FAAH (0.56) POLBHSD17B10ALDH1A1LMNARAB9A
SCHEMBL5540748 0.80 POLB (0.56) POLBHSD17B10ALDH1A1LMNARAB9A
SCHEMBL30544976 0.79 ALDH1A1 (0.62) ALDH1A1LMNARAB9AFAAHKMT2A
SCHEMBL2730357 0.79 ALDH1A1 (0.62) ALDH1A1LMNARAB9AFAAHKMT2A
SCHEMBL13853584 0.79 RAB9A (0.58) POLBHSD17B10ALDH1A1LMNARAB9A
SCHEMBL25987647 0.79 SMN1; SMN2 (0.74) POLBHSD17B10ALDH1A1LMNARAB9A
SCHEMBL17198858 0.78 TAAR1 (0.57) POLBALDH1A1LMNARAB9AFAAH

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-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

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.