SCHEMBL10033715

SCHEMBL10033715

Cc1ccc(N2C[C@H](CO)OC2=O)cc1F

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 7/20 0.67
MAOA P21397 6/20 0.66
MAOB P27338 6/20 0.66
CYP2C19 P33261 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.51
LMNA P02545 1/20 0.50
PTGS1 P23219 1/20 0.50
SDHA P31040 1/20 0.50
GRM2 Q14416 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
SCHEMBL1222787 1.00 CALML3 (0.67) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL1222791 1.00 CALML3 (0.67) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL1223712 0.90 CALML3 (0.55) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL1223711 0.90 CALML3 (0.55) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL3323279 0.88 CALML3 (0.80) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL1222864 0.88 CALML3 (0.52) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL1222866 0.88 CALML3 (0.52) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL3323285 0.88 CALML3 (0.80) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL3323276 0.88 CALML3 (0.80) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL19938071 0.87 CALML3 (0.64) CALML3MAOAMAOBCYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
WO-2014174522-A1 IMPROVED PROCESSES FOR THE PREPARATION OF LINEZOLID USING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2014-10-30 WO disclosed
EP-2296651-B1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES FOR TREATING BACTERIAL INTESTINAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2012-07-18 EP disclosed
US-8124772-B2 Intermediate products for producing oxazolidinone-quinolone hybrids Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2012-02-28 US disclosed
US-20090306389-A1 Intermediate products for producing oxazolidinone-quinolone hybrids MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2009-12-10 US disclosed
US-7557214-B2 Intermediate products for producing oxazolidinone-quinolone hybrids Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2009-07-07 US disclosed
US-20070004769-A1 Intermediate products for producing oxazolidinone-quinolone hybrids MORPHOCHEM AKTIEGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2007-01-04 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 (3 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-20090306389-A1 Intermediate products for producing oxazolidinone-quinolone hybrids OXA1L, NQO1, NQO2 CALML3 4334/4885MAOA 590/4885MAOB 391/4885
US-20070004769-A1 Intermediate products for producing oxazolidinone-quinolone hybrids OXA1L, NQO1, NQO2 CALML3 4334/4885MAOA 590/4885MAOB 391/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 CALML3 4273/4885MAOA 2199/4885MAOB 1091/4885

“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.