SCHEMBL6624309

SCHEMBL6624309

CC(C)(C)OC(=O)c1cn(C[C@H]2CN(c3ccc(C4(C#N)CC4)cc3)C(=O)O2)nn1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.55
KCNH2 Q12809 2/20 0.45
SIGMAR1 Q99720 15/20 0.42
GRM2 Q14416 1/20 0.37

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
SCHEMBL6621493 0.87 KCNH2 (0.43) MAOAKCNH2SIGMAR1GRM2
SCHEMBL6618871 0.86 GRM2 (0.43) MAOAKCNH2SIGMAR1GRM2
SCHEMBL6609268 0.86 KCNH2 (0.43) MAOAKCNH2SIGMAR1
SCHEMBL6622863 0.86 KCNH2 (0.43) MAOAKCNH2SIGMAR1
SCHEMBL6607727 0.86 KCNH2 (0.43) MAOAKCNH2SIGMAR1GRM2
SCHEMBL6607680 0.82 MAOA (0.54) MAOAKCNH2SIGMAR1GRM2
SCHEMBL6620288 0.81 MAOA (0.51) MAOAKCNH2SIGMAR1
SCHEMBL6621257 0.81 KCNH2 (0.46) MAOAKCNH2SIGMAR1GRM2
SCHEMBL6766942 0.79 KCNH2 (0.44) MAOAKCNH2SIGMAR1GRM2
SCHEMBL6626227 0.79 KCNH2 (0.43) MAOAKCNH2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448536-A1 CYCLOPROPYL-CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2004-08-25 EP claimed
US-6686363-B2 EFFECTIVE AGAINST MULTI-RESISTANT BACTERIA KYORIN PHARMACEUTICAL CO., LTD. (JP) 2004-02-03 US claimed
US-20030225107-A1 CYCLOPROPYL CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK SHARP & DOHME CORP. 2003-12-04 US claimed
WO-2003048136-A1 CYCLOPROPYL HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2003-06-12 WO claimed
EP-1448536-A1 CYCLOPROPYL-CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2004-08-25 EP disclosed
US-6686363-B2 EFFECTIVE AGAINST MULTI-RESISTANT BACTERIA KYORIN PHARMACEUTICAL CO., LTD. (JP) 2004-02-03 US disclosed
US-20030225107-A1 CYCLOPROPYL CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK SHARP & DOHME CORP. 2003-12-04 US disclosed
WO-2003048136-A1 CYCLOPROPYL HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2003-06-12 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 (1 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-20030225107-A1 CYCLOPROPYL CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF ALAD, OXA1L, ECI1 MAOA 3188/4885KCNH2 3541/4885SIGMAR1 2883/4885

“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.