SCHEMBL3368783

SCHEMBL3368783

CC(C)(C)OC(=O)N[C@]1(c2ccc(Br)cn2)[C@@H]2COC[C@@H]21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.39
DGAT1 O75907 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RECQL P46063 1/20 0.36
BCL2 P10415 2/20 0.35
AAK1 Q2M2I8 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
POLB P06746 1/20 0.34
FPR3 P25089 4/20 0.33
FPR2 P25090 4/20 0.33
TSHR P16473 1/20 0.33
RORC P51449 1/20 0.33

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
SCHEMBL3368786 1.00 CPB2 (0.39) CPB2DGAT1NPC1RAB9ASMN1; SMN2
SCHEMBL3368795 1.00 CPB2 (0.39) CPB2DGAT1NPC1RAB9ASMN1; SMN2
SCHEMBL4464185 1.00 CPB2 (0.39) CPB2DGAT1NPC1RAB9ASMN1; SMN2
SCHEMBL4464180 1.00 CPB2 (0.39) CPB2DGAT1NPC1RAB9ASMN1; SMN2
SCHEMBL3367087 0.86 DGAT1 (0.38) CPB2DGAT1NPC1RAB9ASMN1; SMN2
SCHEMBL3367084 0.86 DGAT1 (0.38) CPB2DGAT1NPC1RAB9ASMN1; SMN2
SCHEMBL3367092 0.86 DGAT1 (0.38) CPB2DGAT1NPC1RAB9ASMN1; SMN2
SCHEMBL3369093 0.83 USP30 (0.41) CPB2DGAT1BCL2POLBFPR3
SCHEMBL3369092 0.83 USP30 (0.41) CPB2DGAT1BCL2POLBFPR3
SCHEMBL3369097 0.83 USP30 (0.41) CPB2DGAT1BCL2POLBFPR3

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
EP-1646629-B1 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK SHARP & DOHME (US) 2010-06-23 EP disclosed
US-7582659-B2 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO., INC. (US) 2009-09-01 US disclosed
US-7462633-B2 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO., INC. (US) 2008-12-09 US disclosed
US-20070203187-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO., INC. (US) 2007-08-30 US disclosed
US-20050038092-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK SHARP & DOHME CORP. 2005-02-17 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-20070203187-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof OXA1L, ALAD, COASY CPB2 1912/4885DGAT1 2869/4885NPC1 1541/4885
US-20050038092-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof OXA1L, ALAD, COASY CPB2 1912/4885DGAT1 2869/4885NPC1 1541/4885

“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.