SCHEMBL6607375

SCHEMBL6607375

N#CC1(c2ccc(N3C[C@H](Cn4cnnn4)OC3=O)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 0.41
GRM2 Q14416 1/20 0.41
KCNH2 Q12809 3/20 0.40
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CYP3A4 P08684 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
SCHEMBL6609785 0.86 KCNH2 (0.54) KCNH2MAOAMAOBCYP3A4
SCHEMBL6608506 0.84 SIGMAR1 (0.41) SIGMAR1GRM2KCNH2
SCHEMBL6621257 0.82 KCNH2 (0.46) SIGMAR1GRM2KCNH2MAOA
SCHEMBL6607680 0.82 MAOA (0.54) SIGMAR1GRM2KCNH2MAOA
SCHEMBL6610525 0.82 SIGMAR1 (0.47) SIGMAR1GRM2
SCHEMBL6606001 0.82 SIGMAR1 (0.41) SIGMAR1GRM2KCNH2
SCHEMBL6693471 0.81 KCNH2 (0.43) SIGMAR1KCNH2MAOA
SCHEMBL6617647 0.81 KCNH2 (0.43) SIGMAR1KCNH2MAOA
SCHEMBL6620288 0.81 MAOA (0.51) SIGMAR1KCNH2MAOA
SCHEMBL6620710 0.81 MAOA (0.51) SIGMAR1KCNH2MAOA

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 SIGMAR1 2883/4885GRM2 3382/4885KCNH2 3541/4885

“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.