SCHEMBL2746602

SCHEMBL2746602

CC(C)(N)C(=O)N1CCN(CCO)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.42
ALDH1A1 P00352 6/20 0.41
HPGD P15428 4/20 0.41
POLB P06746 3/20 0.41
HSD17B10 Q99714 3/20 0.41
HTT P42858 2/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
TSHR P16473 2/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 3/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL6258299 0.85 ALOX15 (0.48) HSD11B1ALDH1A1ALOX15LMNAKMT2A
SCHEMBL11922845 0.85 KMT2A (0.47) HSD11B1ALDH1A1HPGDPOLBHSD17B10
SCHEMBL14967969 0.81 HSD11B1 (0.47) HSD11B1ALDH1A1KDM4EKMT2A
SCHEMBL5512358 0.79 ALDH1A1 (0.46) HSD11B1ALDH1A1HPGDPOLBHSD17B10
SCHEMBL2171890 0.78 CYP1A2 (0.50) HSD11B1HPGDPOLBHTTALOX15
SCHEMBL6258296 0.78 KDM4E (0.46) ALDH1A1POLBTSHRKDM4ELMNA
SCHEMBL16815707 0.77 HTT (0.47) HSD11B1ALDH1A1HPGDPOLBHSD17B10
SCHEMBL12726850 0.76 PIK3CD (0.59) ALDH1A1TSHRKDM4ETHRBCYP2D6
Hydrochloric Acid SCHEMBL15742309 0.76 CYP1A2 (0.48) HSD11B1HPGDPOLBHTTALOX15
SCHEMBL24029613 0.76 GAA (0.46) ALDH1A1HSD17B10ALOX15TSHRLMNA

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 HSD11B1 2403/4885ALDH1A1 3505/4885HPGD 1235/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 HSD11B1 2552/4885ALDH1A1 4132/4885HPGD 1169/4885

“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.