SCHEMBL6799102

SCHEMBL6799102

CC(=O)NCC1CN(c2ccc(-c3ccc(NC(=O)[C@H](C)OC(C)=O)nc3)c(F)c2)C(=O)O1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 11/20 0.56
MAOB P27338 2/20 0.51
CALML3 P27482 2/20 0.51
LMNA P02545 1/20 0.51
PTGS1 P23219 1/20 0.51
SDHA P31040 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL6792243 0.91 MAOA (0.59) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL6798427 0.90 MAOA (0.58) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL6796724 0.90 MAOA (0.58) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL6791790 0.89 MAOA (0.64) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL6796732 0.88 CYP3A4 (0.49) MAOAMAOBCALML3CYP3A4CYP2C19
SCHEMBL6612200 0.86 MAOA (0.57) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL6612431 0.86 MAOA (0.61) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL6796433 0.86 MAOA (0.61) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL6613809 0.85 MAOA (0.64) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL6797219 0.85 MAOA (0.58) MAOAMAOBCALML3LMNAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082583-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2004-04-29 US claimed
US-20030166620-A1 Novel oxazolidinone derivatives and a process for the preparation thereof DONG A PHARM. CO., LTD. (KR) 2003-09-04 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-20030166620-A1 Novel oxazolidinone derivatives and a process for the preparation thereof OXA1L, ODC1, PDCD4 MAOA 763/4885MAOB 593/4885CALML3 4610/4885
US-20040082583-A1 Chemical compounds TIE1, KDR, FLT4 MAOA 3005/4885MAOB 1949/4885CALML3 2768/4885

“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.