SCHEMBL6608964

SCHEMBL6608964

N#CC1(c2ccc(N3C[C@H](CN=C=S)OC3=O)cc2F)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 7/20 0.42
KCNH2 Q12809 3/20 0.38
MAOB P27338 7/20 0.38
MAOA P21397 3/20 0.38
LMNA P02545 1/20 0.38
PTGS1 P23219 1/20 0.38
SDHA P31040 1/20 0.38
F10 P00742 1/20 0.36
GRM2 Q14416 2/20 0.36

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
SCHEMBL6607578 0.85 F10 (0.46) CALML3KCNH2MAOBMAOALMNA
SCHEMBL6685151 0.85 CALML3 (0.57) CALML3KCNH2MAOBMAOALMNA
SCHEMBL6608322 0.85 F10 (0.46) CALML3KCNH2MAOBMAOALMNA
SCHEMBL6685146 0.85 CALML3 (0.57) CALML3KCNH2MAOBMAOALMNA
SCHEMBL6607285 0.81 F10 (0.48) CALML3MAOBMAOALMNAPTGS1
SCHEMBL6606571 0.81 MAOA (0.54) CALML3MAOBMAOALMNAPTGS1
SCHEMBL6638404 0.81 MAOA (0.47) CALML3MAOBMAOALMNAPTGS1
SCHEMBL6677965 0.79 MAOB (0.62) CALML3MAOBMAOALMNAPTGS1
SCHEMBL6606336 0.79 MAOA (0.62) CALML3MAOBMAOALMNAPTGS1
SCHEMBL6609834 0.79 MAOA (0.48) CALML3MAOBMAOALMNAPTGS1

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 4 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 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 CALML3 3713/4885KCNH2 3541/4885MAOB 2277/4885

“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.