SCHEMBL3045844

SCHEMBL3045844

CNC(=O)[C@H]1CN(c2ccc(-c3cnc(N4CCN(C(=O)CO)CC4)nc3)c(F)c2)C(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 6/20 0.48
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
MAOA P21397 9/20 0.45
MAOB P27338 2/20 0.45
CYP2C9 P11712 1/20 0.45
F10 P00742 1/20 0.44

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
SCHEMBL3034994 0.91 CALML3 (0.47) CALML3CYP2C19CYP3A4MAOAMAOB
SCHEMBL3032898 0.86 CALML3 (0.44) CALML3CYP2C19CYP3A4MAOAMAOB
SCHEMBL6797699 0.85 MAOA (0.58) CALML3CYP2C19CYP3A4MAOAMAOB
SCHEMBL6642797 0.84 CALML3 (0.47) CALML3CYP2C19CYP3A4MAOAMAOB
SCHEMBL27579383 0.84 CALML3 (0.48) CALML3CYP2C19CYP3A4MAOAMAOB
SCHEMBL6671547 0.82 CALML3 (0.52) CALML3CYP2C19CYP3A4MAOAMAOB
SCHEMBL3041346 0.81 CALML3 (0.50) CALML3CYP2C19CYP3A4MAOAMAOB
SCHEMBL3036196 0.80 CALML3 (0.49) CALML3CYP2C19CYP3A4MAOAMAOB
SCHEMBL3041844 0.78 CALML3 (0.47) CALML3CYP2C19CYP3A4MAOAMAOB
SCHEMBL6087059 0.78 CALML3 (0.47) CALML3CYP2C19CYP3A4MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147760-A1 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives PHARMACIA & UPJOHN COMPANY 2004-07-29 US claimed
US-7645781-B2 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives PFIZER INC (US) 2010-01-12 US disclosed
US-20070015801-A1 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives THOMAS RICHARD C 2007-01-18 US disclosed
US-7141588-B2 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives PFIZER, INC. (US) 2006-11-28 US disclosed
US-20040147760-A1 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives PHARMACIA & UPJOHN COMPANY 2004-07-29 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-20040147760-A1 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives OXA1L, AADAC, MT-ND5 CALML3 3149/4885CYP2C19 359/4885CYP3A4 582/4885
US-20070015801-A1 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives OXA1L, AADAC, MT-ND5 CALML3 3149/4885CYP2C19 359/4885CYP3A4 582/4885

“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.