SCHEMBL4887857

SCHEMBL4887857

Cc1cnc(C)n1CC(=O)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOA P21397 17/20 1.00
CYP3A4 P08684 4/20 1.00
CYP2C9 P11712 1/20 0.75
CYP2D6 P10635 1/20 0.62

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
SCHEMBL4895217 0.89 MAOA (0.81) MAOACYP3A4CYP2C9CYP2D6
SCHEMBL4885180 0.88 MAOA (0.79) MAOACYP3A4CYP2C9CYP2D6
SCHEMBL4893290 0.86 CYP3A4 (0.81) MAOACYP3A4CYP2C9CYP2D6
SCHEMBL4891794 0.86 MAOA (1.00) MAOACYP3A4CYP2C9CYP2D6
SCHEMBL4892331 0.85 CYP3A4 (1.00) MAOACYP3A4CYP2C9CYP2D6
SCHEMBL4899276 0.85 MAOA (0.77) MAOACYP3A4CYP2C9CYP2D6
SCHEMBL4897434 0.85 MAOA (0.75) MAOACYP3A4CYP2C9CYP2D6
SCHEMBL4896038 0.84 MAOA (0.74) MAOACYP3A4CYP2C9CYP2D6
SCHEMBL4895902 0.84 MAOA (0.74) MAOACYP3A4CYP2C9CYP2D6
SCHEMBL4901157 0.84 MAOA (0.80) MAOACYP3A4CYP2C9CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021071-A1 3-{4-(Pyridin-3-Yl) Phenyl}-5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones as Antibacterial Agents ASTRAZENECA AB (SE) 2008-01-24 US disclosed
US-20080021071-A1 3-{4-(Pyridin-3-Yl) Phenyl}-5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones as Antibacterial Agents ASTRAZENECA AB (SE) 2008-01-24 US disclosed
US-20080021012-A1 3-[4-{6-Substituted Alkanoyl Pyridin-3-Yl}-3-Phenyl]-5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones As Antibacterial Agents ASTRAZENECA AB (SE) 2008-01-24 US disclosed
US-20080021012-A1 3-[4-{6-Substituted Alkanoyl Pyridin-3-Yl}-3-Phenyl]-5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones As Antibacterial Agents ASTRAZENECA AB (SE) 2008-01-24 US disclosed
EP-1753755-A1 3- {4- (PYRIDIN-3-YL) PHENYL} -5- (1H-1, 2, 3-TRIAZOL-1-YLMETHYL) -1, 3-OXAZOLIDIN-2-ONES AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 2007-02-21 EP disclosed
WO-2005116023-A1 3- {4- (PYRIDIN-3-YL) PHENYL} -5- (1H-1, 2, 3-TRIAZOL-1-YLMETHYL) -1, 3-OXAZOLIDIN-2-ONES AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2005-12-08 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-20080021012-A1 3-[4-{6-Substituted Alkanoyl Pyridin-3-Yl}-3-Phenyl]-5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones As Antibacterial Agents MRPL21, ARG1, OXA1L MAOA 1143/4885CYP3A4 269/4885CYP2C9 99/4885
US-20080021071-A1 3-{4-(Pyridin-3-Yl) Phenyl}-5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones as Antibacterial Agents MRPL21, ARG1, OXA1L MAOA 936/4885CYP3A4 69/4885CYP2C9 26/4885

“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.