SCHEMBL13100993

SCHEMBL13100993

CC(C)(C)OC(=O)N1CCN(c2ccc(Br)cn2)CCN1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.46
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
PANK3 Q9H999 1/20 0.42
GPR119 Q8TDV5 3/20 0.42
RET P07949 4/20 0.41
CKS1B P61024 2/20 0.40
SKP1 P63208 2/20 0.40
SKP2 Q13309 2/20 0.40
MAP4K4 O95819 1/20 0.39
HDAC1 Q13547 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADK P55263 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
CXCR3 P49682 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
SCHEMBL594352 0.83 AKR1C3 (0.57) AKR1C3PPARGPPARDPPARADDB1
SCHEMBL13100992 0.83 AKR1C3 (0.51) AKR1C3PPARGPPARDPPARADDB1
SCHEMBL30480343 0.83 AKR1C3 (0.57) AKR1C3PPARGPPARDPPARADDB1
SCHEMBL29712339 0.82 AKR1C3 (0.56) AKR1C3PPARGPPARDPPARADDB1
SCHEMBL29219553 0.80 PPARG (0.46) AKR1C3PPARGPPARDPPARADDB1
SCHEMBL594028 0.79 CKS1B (0.59) AKR1C3DDB1CRBNPANK3GPR119
SCHEMBL13100995 0.76 AKR1C3 (0.45) AKR1C3PPARGPPARDPPARADDB1
SCHEMBL29522264 0.76 AKR1C3 (0.44) AKR1C3PPARGPPARDPPARADDB1
SCHEMBL15206161 0.76 AKR1C3 (0.44) AKR1C3PPARGPPARDPPARADDB1
SCHEMBL29455974 0.76 RET (0.51) AKR1C3DDB1CRBNGPR119RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530646-B2 Oxazolidinone derivative having 7-membered hetero ring RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2013-09-10 US disclosed
US-8530646-B2 Oxazolidinone derivative having 7-membered hetero ring RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2013-09-10 US disclosed
US-20100256355-A1 OXAZOLIDINONE DERIVATIVE HAVING 7-MEMBERED HETERO RING Research Foundation ITSUU Laboratory and Shionogi & Co., Ltd. 2010-10-07 US disclosed
US-20100256355-A1 OXAZOLIDINONE DERIVATIVE HAVING 7-MEMBERED HETERO RING Research Foundation ITSUU Laboratory and Shionogi & Co., Ltd. 2010-10-07 US disclosed
EP-2233484-A2 Oxazolidinone derivatives having a 7-membered heterocyclic ring Research Foundation Itsuu Laboratory (JP) 2010-09-29 EP disclosed
EP-2208729-A1 OXAZOLIDINONE DERIVATIVE HAVING 7-MEMBERED HETERO RING Research Foundation Itsuu Laboratory (JP) 2010-07-21 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 (1 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-20100256355-A1 OXAZOLIDINONE DERIVATIVE HAVING 7-MEMBERED HETERO RING NR0B2, NR0B1, NR2C2 AKR1C3 854/4885PPARG 1500/4885PPARD 1216/4885

“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.