SCHEMBL4874544

SCHEMBL4874544

CC(=O)NC[C@H]1CN(c2ccc(C3[C@H]4COC[C@@H]34)cc2)C(=O)O1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.58
MAOB P27338 2/20 0.58
PTGS1 P23219 2/20 0.58
SDHA P31040 2/20 0.58
LMNA P02545 1/20 0.58
CALML3 P27482 1/20 0.58
F10 P00742 8/20 0.53
ABCB11 O95342 1/20 0.51
ITGB3 P05106 2/20 0.48
PRSS1 P07477 2/20 0.48
PRSS2 P07478 2/20 0.48
ITGA2B P08514 2/20 0.48
PRSS3 P35030 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL14197139 1.00 MAOA (0.58) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7020236 0.90 MAOA (0.57) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4881025 0.89 F10 (0.50) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4883475 0.88 MAOA (0.59) MAOAMAOBPTGS1SDHALMNA
SCHEMBL14197149 0.88 MAOA (0.59) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4879148 0.88 MAOA (0.55) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4882407 0.86 MAOA (0.55) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4882419 0.86 MAOA (0.53) MAOAMAOBPTGS1SDHALMNA
SCHEMBL14197157 0.86 MAOA (0.55) MAOAMAOBPTGS1SDHALMNA
SCHEMBL14197148 0.85 MAOA (0.52) MAOAMAOBPTGS1SDHALMNA

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-20080090884-A1 ANTIMICROBIAL [3.1.0] BICYCLOHEXYLPHENYL- OXAZOLIDINONE DERIVATIVES AND ANALOGUES PFIZER INC 2008-04-17 US claimed
US-7279494-B2 Antimicrobial [3.1.0] bicyclohexylphenyl-oxazolidinone derivatives and analogues PFIZER INC. (US) 2007-10-09 US claimed
US-20050192325-A1 Antimicrobial [3.1.0] bicyclohexylphenyl-oxazolidinone derivatives and analogues RENSLO ADAM (US) 2005-09-01 US claimed
US-20080090884-A1 ANTIMICROBIAL [3.1.0] BICYCLOHEXYLPHENYL- OXAZOLIDINONE DERIVATIVES AND ANALOGUES PFIZER INC 2008-04-17 US disclosed
US-7279494-B2 Antimicrobial [3.1.0] bicyclohexylphenyl-oxazolidinone derivatives and analogues PFIZER INC. (US) 2007-10-09 US disclosed
US-20050192325-A1 Antimicrobial [3.1.0] bicyclohexylphenyl-oxazolidinone derivatives and analogues RENSLO ADAM (US) 2005-09-01 US 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 (2 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-20050192325-A1 Antimicrobial [3.1.0] bicyclohexylphenyl-oxazolidinone derivatives and analogues OXA1L, CYP51A1, CYP2C19 MAOA 1957/4885MAOB 1797/4885PTGS1 568/4885
US-20080090884-A1 ANTIMICROBIAL [3.1.0] BICYCLOHEXYLPHENYL- OXAZOLIDINONE DERIVATIVES AND ANALOGUES OXA1L, CYP51A1, CYP2C19 MAOA 1931/4885MAOB 1736/4885PTGS1 653/4885

“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.