SCHEMBL3367063

SCHEMBL3367063

CCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C4(C#N)C5CNCC54)nc3)c(F)c2)C(=O)O1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 11/20 0.47
CALML3 P27482 3/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
MAOB P27338 1/20 0.45
CYP2C9 P11712 1/20 0.43

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
SCHEMBL13335073 1.00 MAOA (0.47) MAOACALML3CYP2C19CYP3A4MAOB
SCHEMBL3368656 0.93 MAOA (0.47) MAOACALML3CYP2C19CYP3A4MAOB
SCHEMBL13711614 0.93 MAOA (0.47) MAOACALML3CYP2C19CYP3A4MAOB
SCHEMBL14012431 0.93 MAOA (0.55) MAOACALML3CYP2C19CYP3A4MAOB
SCHEMBL3370872 0.93 MAOA (0.55) MAOACALML3CYP2C19CYP3A4MAOB
Hydrochloric Acid SCHEMBL3368923 0.92 MAOA (0.54) MAOACALML3CYP2C19CYP3A4MAOB
SCHEMBL13334932 0.91 MAOB (0.51) MAOACALML3CYP2C19CYP3A4MAOB
SCHEMBL13711629 0.91 MAOA (0.47) MAOACALML3CYP2C19CYP3A4MAOB
SCHEMBL3368505 0.91 MAOB (0.51) MAOACALML3CYP2C19CYP3A4MAOB
Hydrochloric Acid SCHEMBL3368737 0.91 MAOB (0.51) MAOACALML3CYP2C19CYP3A4MAOB

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 MAOA 2977/4885CALML3 3370/4885CYP2C19 56/4885
US-20050038092-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof OXA1L, ALAD, COASY MAOA 2977/4885CALML3 3370/4885CYP2C19 56/4885

“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.