SCHEMBL16115369

SCHEMBL16115369

CCN(c1ncc(Br)cc1CCl)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.39
LMNA P02545 3/20 0.39
CYP2D6 P10635 2/20 0.39
ABCB11 O95342 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
AR P10275 1/20 0.39
SLC6A2 P23975 1/20 0.39
PDE4A P27815 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CYP3A4 P08684 1/20 0.38
HTT P42858 1/20 0.38
JAK2 O60674 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
OPRK1 P41145 4/20 0.34
S1PR1 P21453 1/20 0.33

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
SCHEMBL16114963 0.87 OPRK1 (0.44) TP53LMNACYP2D6ABCB11ADORA3
SCHEMBL16114911 0.76 TP53 (0.38) TP53LMNAJAK2S1PR1ALDH1A1
SCHEMBL16115001 0.74 OPRK1 (0.56) OPRK1
SCHEMBL17515854 0.73 IDO1 (0.41) TP53IDO1
SCHEMBL16119857 0.72 TP53 (0.43) TP53LMNACYP2D6KCNH2SIGMAR1
SCHEMBL16115072 0.70 IDO1 (0.39) LMNACYP3A4HTTCYP1A2CYP2C19
SCHEMBL16115374 0.69 TP53 (0.38) TP53LMNAJAK2S1PR1ALDH1A1
SCHEMBL31217358 0.69 GBA1 (0.56) TP53LMNAJAK2S1PR1ALDH1A1
SCHEMBL16114282 0.68 TP53 (0.38) TP53LMNAKCNH2JAK2S1PR1
SCHEMBL28046306 0.68 S1PR1 (0.38) TP53LMNAJAK2S1PR1ALDH1A1

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-9533977-B2 Oxazolidinone derivative as CETP inhibitor, its preparation method, and pharmaceutical composition comprising the same DONG-A ST CO., LTD. (KR) 2017-01-03 US disclosed
US-9533977-B2 Oxazolidinone derivative as CETP inhibitor, its preparation method, and pharmaceutical composition comprising the same DONG-A ST CO., LTD. (KR) 2017-01-03 US disclosed
US-20160039804-A1 NOVEL OXAZOLIDINONE DERIVATIVE AS CETP INHIBITOR, ITS PREPARATION METHOD, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG-A ST CO., LTD. (KR) 2016-02-11 US disclosed
US-20160039804-A1 NOVEL OXAZOLIDINONE DERIVATIVE AS CETP INHIBITOR, ITS PREPARATION METHOD, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG-A ST CO., LTD. (KR) 2016-02-11 US disclosed
US-20160039804-A1 NOVEL OXAZOLIDINONE DERIVATIVE AS CETP INHIBITOR, ITS PREPARATION METHOD, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG-A ST CO., LTD. (KR) 2016-02-11 US disclosed
EP-2978761-A1 NOVEL OXAZOLIDINONE DERIVATIVE AS CETP INHIBITOR, ITS PREPARATION METHOD, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Dong-A ST Co., Ltd. (KR) 2016-02-03 EP disclosed
CN-105102454-A Novel oxazolidinone derivative as cetp inhibitor, its preparation method, and pharmaceutical composition comprising the same DONG A ST CO LTD 2015-11-25 CN disclosed
WO-2014157994-A1 NOVEL OXAZOLIDINONE DERIVATIVE AS CETP INHIBITOR, ITS PREPARATION METHOD, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG-A ST CO.,LTD (KR) 2014-10-02 WO disclosed
WO-2014157994-A1 NOVEL OXAZOLIDINONE DERIVATIVE AS CETP INHIBITOR, ITS PREPARATION METHOD, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG-A ST CO.,LTD (KR) 2014-10-02 WO 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-20160039804-A1 NOVEL OXAZOLIDINONE DERIVATIVE AS CETP INHIBITOR, ITS PREPARATION METHOD, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CETP, MTTP, APOB TP53 4511/4885LMNA 829/4885CYP2D6 1193/4885

“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.