SCHEMBL3368962

SCHEMBL3368962

N#CC1(c2ccc(-c3ccc(N4C[C@H](CN)OC4=O)cc3F)cn2)C2COCC21

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 6/20 0.52
MAOA P21397 11/20 0.49
MAOB P27338 2/20 0.49
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL3368958 1.00 CALML3 (0.52) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL3368955 1.00 CALML3 (0.52) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL3372083 0.87 MAOA (0.56) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL13711498 0.87 MAOA (0.56) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL13711610 0.86 MAOA (0.57) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL13711613 0.86 MAOB (0.54) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL3368176 0.86 MAOA (0.53) CALML3MAOACYP2C9CYP3A4
SCHEMBL3367145 0.86 MAOB (0.54) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL3368656 0.86 MAOA (0.47) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL3368721 0.86 CALML3 (0.46) CALML3MAOAMAOBCYP2C19CYP2C9

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 CALML3 3370/4885MAOA 2977/4885MAOB 1835/4885
US-20050038092-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof OXA1L, ALAD, COASY CALML3 3370/4885MAOA 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.