SCHEMBL4171617

SCHEMBL4171617

CC1(C)OB(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)OC1(C)C

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 16/20 0.62
MAOB P27338 1/20 0.62
CYP3A4 P08684 4/20 0.59
CYP2D6 P10635 1/20 0.59
KCNH2 Q12809 1/20 0.55
CYP2C9 P11712 1/20 0.50

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
SCHEMBL5955468 1.00 MAOA (0.62) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL4898414 0.85 MAOA (0.63) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL4482016 0.84 MAOA (0.57) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL6510342 0.83 MAOA (0.72) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL21999062 0.83 MAOA (0.72) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL11983302 0.83 MAOA (0.73) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL4502247 0.83 MAOA (0.51) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL4493652 0.83 MAOA (0.51) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL3328501 0.82 CYP3A4 (0.79) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL3328495 0.82 CYP3A4 (0.79) MAOAMAOBCYP3A4CYP2D6KCNH2

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 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771345-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2017-09-26 US disclosed
US-9771345-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2017-09-26 US disclosed
US-9422274-B2 Oxazolidinone derivatives and composition for preventing or treating hepatitis C containing the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-08-23 US disclosed
US-9422274-B2 Oxazolidinone derivatives and composition for preventing or treating hepatitis C containing the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-08-23 US disclosed
US-9422274-B2 Oxazolidinone derivatives and composition for preventing or treating hepatitis C containing the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-08-23 US disclosed
US-9376400-B2 Process for the synthesis of triazoles MELINTA THERAPEUTICS, INC. (US) 2016-06-28 US disclosed
US-9376400-B2 Process for the synthesis of triazoles MELINTA THERAPEUTICS, INC. (US) 2016-06-28 US disclosed
US-20150158827-A1 Process for the Synthesis of Triazoles MELINTA SUBSIDIARY CORP. 2015-06-11 US disclosed
US-20150158827-A1 Process for the Synthesis of Triazoles MELINTA SUBSIDIARY CORP. 2015-06-11 US disclosed
US-20150148386-A1 Oxazolidinone derivatives and composition for preventing or treating Hepatitis C containing the same POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2015-05-28 US disclosed
US-20060116400-A1 Oxazolidinone and/or isoxazoline derivatives as antibacterial agents ASTRAZENECA AB (SE) 2006-06-01 US disclosed
US-20060116386-A1 Oxazolidinones as antibacterial agents ASTRAZENECA AB (SE) 2006-06-01 US disclosed
US-20060058314-A1 Oxazolidinone derivatives and their use as antibacterial agents ASTRAZENECA AB (SE) 2006-03-16 US 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
WO-2005116017-A1 PROCESS FOR THE PREPARATION OF ARYL SUBSTITUTED OXAZOLIDINONES AS INTERMEDIATES FOR ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2005-12-08 WO disclosed
WO-2005116024-A1 3- (4- (2-DIHYDROISOXAZOL-3-YLPYRIDIN-5-YL) PHENYL) -5-TRIAZOL-1-YLMETHYLOXAZOLIDIN-2-ONE DERIVAIVES AS MAO INHIBITORS FOR THE TREATMENT OF BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2005-12-08 WO disclosed
WO-2005116022-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) 2005-12-08 WO disclosed
WO-2005116021-A1 3-[4-(6-{4,5-DIHYDROISOXAZOL-3-YL}PYRIDIN-3-YL)-3-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
EP-1599471-A1 HYDROXYMETHYL SUBSTITUTED DIHYDROISOXAZOLE DERIVATIVES USEFUL AS ANTIBIOTIC AGENTS Astrazeneca AB (SE) 2005-11-30 EP disclosed
WO-2004078753-A1 HYDROXYMETHYL SUBSTITUTED DIHYDROISOXAZOLE DERIVATIVES USEFUL AS ANTIBIOTIC AGENTS ASTRAZENECA AB (SE) 2004-09-16 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 (5 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-20060116386-A1 Oxazolidinones as antibacterial agents MRPL21, MRPS23, DPP3 MAOA 279/4885MAOB 120/4885CYP3A4 1089/4885
US-20060058314-A1 Oxazolidinone derivatives and their use as antibacterial agents NR0B1, NR0B2, CYP8B1 MAOA 519/4885MAOB 331/4885CYP3A4 662/4885
US-20060116400-A1 Oxazolidinone and/or isoxazoline derivatives as antibacterial agents NR0B2, NR0B1, HRH2 MAOA 293/4885MAOB 168/4885CYP3A4 372/4885
US-20150148386-A1 Oxazolidinone derivatives and composition for preventing or treating Hepatitis C containing the same CYP7A1, CYP7B1, CYP3A7 MAOA 2474/4885MAOB 1597/4885CYP3A4 75/4885
US-20150158827-A1 Process for the Synthesis of Triazoles PROKR1, SI, IL33 MAOA 1726/4885MAOB 1344/4885CYP3A4 14/4885

“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.