SCHEMBL5535326

SCHEMBL5535326

CNC(=O)C1CCN(C(=O)C(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.42
CASP3 P42574 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
GAA P10253 1/20 0.36
RECQL P46063 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36

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
SCHEMBL2746438 0.86 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL23945025 0.84 LMNA (0.41) SMN1; SMN2ALDH1A1LMNACASP3KMT2A
SCHEMBL5542679 0.84 LMNA (0.41) SMN1; SMN2ALDH1A1LMNACASP3KMT2A
SCHEMBL5516041 0.83 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL18212356 0.81 CYP3A4 (0.43) SMN1; SMN2LMNACASP3KMT2ARXFP1
SCHEMBL5536873 0.80 CNR1 (0.43) SMN1; SMN2LMNACASP3KMT2AMEN1
SCHEMBL14679331 0.80 BCHE (0.47) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL1245452 0.79 HPGD (0.62) SMN1; SMN2KMT2APTPN2PTPN1PTPN6
SCHEMBL1034955 0.79 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL8351549 0.79 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326108-A1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-11-10 US disclosed
US-9458171-B2 Pyrrolidinyl sulfone RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-04 US disclosed
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 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-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 (4 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 SMN1; SMN2 4550/4885ALDH1A1 3505/4885LMNA 4280/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 SMN1; SMN2 4482/4885ALDH1A1 4132/4885LMNA 3604/4885
US-20160326108-A1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS RORC, RORB, RORA SMN1; SMN2 1758/4885ALDH1A1 1327/4885LMNA 4085/4885
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS RORC, RORB, RORA SMN1; SMN2 1871/4885ALDH1A1 1269/4885LMNA 3963/4885

“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.