SCHEMBL3366199

SCHEMBL3366199

CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C4(C#N)C5CN(C(=O)OC(C)(C)C)CC54)nc3)cc2)C(=O)O1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.42
MAOA P21397 5/20 0.41
MAOB P27338 2/20 0.41
LMNA P02545 1/20 0.41
PTGS1 P23219 1/20 0.41
CALML3 P27482 1/20 0.41
SDHA P31040 1/20 0.41
F10 P00742 3/20 0.38
GPR119 Q8TDV5 2/20 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
SCHEMBL13711574 1.00 ABCB11 (0.42) ABCB11MAOAMAOBLMNAPTGS1
SCHEMBL3368324 0.91 MAOA (0.50) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL14012749 0.91 MAOA (0.50) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL3367287 0.90 MAOA (0.44) ABCB11MAOAMAOBLMNAPTGS1
SCHEMBL13711575 0.90 MAOA (0.44) ABCB11MAOAMAOBLMNAPTGS1
SCHEMBL3371800 0.87 ABCB11 (0.46) ABCB11MAOAMAOBLMNAPTGS1
SCHEMBL5790145 0.87 MAOA (0.45) ABCB11MAOAMAOBLMNAPTGS1
SCHEMBL13711572 0.87 ABCB11 (0.46) ABCB11MAOAMAOBLMNAPTGS1
SCHEMBL3366591 0.86 ABCB11 (0.46) ABCB11MAOAMAOBLMNAPTGS1
SCHEMBL13334906 0.86 ABCB11 (0.46) ABCB11MAOAMAOBLMNAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1646629-B1 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK SHARP & DOHME (US) 2010-06-23 EP claimed
US-7462633-B2 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO., INC. (US) 2008-12-09 US claimed
EP-1646629-A2 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2006-04-19 EP claimed
US-20050038092-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK SHARP & DOHME CORP. 2005-02-17 US claimed
WO-2005005398-A2 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2005-01-20 WO claimed
EP-1646629-B1 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK SHARP & DOHME (US) 2010-06-23 EP disclosed
US-7582659-B2 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO., INC. (US) 2009-09-01 US disclosed
US-7462633-B2 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO., INC. (US) 2008-12-09 US disclosed
US-20070203187-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO., INC. (US) 2007-08-30 US disclosed
EP-1646629-A2 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2006-04-19 EP disclosed
US-20050038092-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK SHARP & DOHME CORP. 2005-02-17 US disclosed
WO-2005005398-A2 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2005-01-20 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 (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-20070203187-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof OXA1L, ALAD, COASY ABCB11 28/4885MAOA 2977/4885MAOB 1835/4885
US-20050038092-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof OXA1L, ALAD, COASY ABCB11 28/4885MAOA 2977/4885MAOB 1835/4885

“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.