SCHEMBL3368381

SCHEMBL3368381

CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@]2(C#N)c1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.51
FPR2 P25090 8/20 0.43
FPR3 P25089 5/20 0.43
USP30 Q70CQ3 2/20 0.42
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
NAMPT P43490 1/20 0.37
NR1H2 P55055 1/20 0.36

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
SCHEMBL3368383 1.00 RORC (0.51) RORCFPR2FPR3USP30KCNK3
SCHEMBL3368376 1.00 RORC (0.51) RORCFPR2FPR3USP30KCNK3
SCHEMBL5790189 0.88 RORC (0.47) RORCUSP30GPR119NAMPT
SCHEMBL30833571 0.88 RORC (0.47) RORCUSP30GPR119NAMPT
SCHEMBL5790185 0.88 RORC (0.47) RORCUSP30GPR119NAMPT
SCHEMBL3404437 0.84 RORC (0.41) RORCFPR2FPR3USP30KCNK3
SCHEMBL3368362 0.84 RORC (0.41) RORCFPR2FPR3USP30KCNK3
SCHEMBL4436563 0.84 RORC (0.41) RORCFPR2FPR3USP30KCNK3
SCHEMBL5790318 0.84 MAPT (0.52) RORCGPR119NAMPTNR1H2
SCHEMBL5764197 0.84 MAPT (0.52) RORCGPR119NAMPTNR1H2

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 7 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
EP-1646629-A2 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2006-04-19 EP disclosed
US-20050038092-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK SHARP & DOHME CORP. 2005-02-17 US disclosed
WO-2005005398-A2 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2005-01-20 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 (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 RORC 8/4885FPR2 1697/4885FPR3 1288/4885
US-20050038092-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof OXA1L, ALAD, COASY RORC 8/4885FPR2 1697/4885FPR3 1288/4885

“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.