SCHEMBL6677910

SCHEMBL6677910

N#CC1(c2ccc(N3CC(CO)OC3=O)cc2Br)CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.49
MAOB P27338 3/20 0.49
CALML3 P27482 6/20 0.46
GRM2 Q14416 4/20 0.38
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP3A4 P08684 1/20 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
SCHEMBL6677903 1.00 MAOA (0.49) MAOAMAOBCALML3GRM2CYP2C19
SCHEMBL6679851 0.88 MAOA (0.56) MAOAMAOBCALML3GRM2CYP2C19
SCHEMBL6685151 0.88 CALML3 (0.57) MAOAMAOBCALML3CYP2C19CYP2C9
SCHEMBL6685146 0.88 CALML3 (0.57) MAOAMAOBCALML3CYP2C19CYP2C9
SCHEMBL6679857 0.88 MAOA (0.56) MAOAMAOBCALML3GRM2CYP2C19
SCHEMBL6607559 0.85 MAOA (0.52) MAOAMAOBCALML3
SCHEMBL6637365 0.82 MAOA (0.49) MAOAMAOBCALML3GRM2
SCHEMBL6637360 0.82 MAOA (0.49) MAOAMAOBCALML3GRM2
SCHEMBL6607861 0.77 F10 (0.46) MAOAMAOBCALML3GRM2
SCHEMBL6608322 0.77 F10 (0.46) MAOAMAOBCALML3

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-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
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 3188/4885MAOB 2277/4885CALML3 3713/4885

“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.