SCHEMBL3366574

SCHEMBL3366574

CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@]2(C#N)c1ccc(-c2ccc(N3CC(CN)OC3=O)cc2F)cn1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 12/20 0.46
MAOB P27338 2/20 0.46
CALML3 P27482 5/20 0.45
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.42

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
SCHEMBL3366585 1.00 MAOA (0.46) MAOAMAOBCALML3CYP2C19CYP3A4
SCHEMBL3366579 1.00 MAOA (0.46) MAOAMAOBCALML3CYP2C19CYP3A4
SCHEMBL3368642 0.91 MAOA (0.48) MAOAMAOBCALML3CYP3A4CYP2C9
SCHEMBL14012755 0.91 MAOA (0.48) MAOAMAOBCALML3CYP3A4CYP2C9
SCHEMBL3366578 0.90 MAOA (0.45) MAOAMAOBCALML3CYP2C19CYP3A4
SCHEMBL14012749 0.90 MAOA (0.50) MAOAMAOBCALML3CYP2C19CYP3A4
SCHEMBL3368324 0.90 MAOA (0.50) MAOAMAOBCALML3CYP2C19CYP3A4
SCHEMBL3369139 0.90 MAOA (0.43) MAOAMAOBCALML3CYP2C19CYP3A4
SCHEMBL13711583 0.90 MAOA (0.43) MAOAMAOBCALML3CYP2C19CYP3A4
SCHEMBL3371931 0.89 MAOA (0.43) MAOAMAOBCALML3CYP2C19CYP3A4

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 5 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 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
US-20050038092-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK SHARP & DOHME CORP. 2005-02-17 US 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 MAOA 2977/4885MAOB 1835/4885CALML3 3370/4885
US-20050038092-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof OXA1L, ALAD, COASY MAOA 2977/4885MAOB 1835/4885CALML3 3370/4885

“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.