SCHEMBL5517124

SCHEMBL5517124

CCCCn1c2c(c(O)c(C(=O)NC3CCCCNC3=O)c1=O)CCCCCC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.53
▸ CCR2 P41597 8/20 0.49
▸ ALDH1A1 P00352 5/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MAPT P10636 4/20 0.47
▸ LMNA P02545 3/20 0.47
▸ USP2 O75604 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HPGD P15428 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ CNR1 P21554 1/20 0.45

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
SCHEMBL2746077 0.81 TSHR (0.57) TSHRALDH1A1KDM4EALOX12L3MBTL1
SCHEMBL11922678 0.79 TSHR (0.68) TSHRALDH1A1KDM4EALOX12L3MBTL1
SCHEMBL5519628 0.79 TSHR (0.84) TSHRALDH1A1KDM4EALOX12L3MBTL1
SCHEMBL2746093 0.76 TSHR (0.52) TSHRALDH1A1KDM4EALOX12L3MBTL1
SCHEMBL2746315 0.76 TSHR (0.55) TSHRALDH1A1KDM4EALOX12L3MBTL1
SCHEMBL11905994 0.75 TSHR (0.54) TSHRALDH1A1KDM4EALOX12L3MBTL1
SCHEMBL2746322 0.74 TSHR (0.61) TSHRALDH1A1KDM4EALOX12L3MBTL1
SCHEMBL5522047 0.71 TSHR (0.59) TSHRALDH1A1KDM4EALOX12L3MBTL1
SCHEMBL2745895 0.70 TSHR (0.56) TSHRALDH1A1KDM4EALOX12L3MBTL1
SCHEMBL5519568 0.69 TSHR (0.57) TSHRALDH1A1KDM4EALOX12L3MBTL1

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 9 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-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-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-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
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 TSHR 1412/4885CCR2 328/4885ALDH1A1 3505/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 TSHR 1109/4885CCR2 209/4885ALDH1A1 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.

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