SCHEMBL634053

SCHEMBL634053

COc1ccc(CN2C(=O)COc3ccc(N4C[C@@H](CN5CC(Nc6ccnc7ccc(F)cc67)C5)OC4=O)cc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.42
SIGMAR1 Q99720 14/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CCR8 P51685 1/20 0.36
PIK3CD O00329 2/20 0.36
PIK3R1 P27986 2/20 0.36
MTOR P42345 2/20 0.36
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL634054 1.00 MCHR1 (0.42) MCHR1SIGMAR1L3MBTL1CCR8PIK3CD
SCHEMBL633991 0.80 L3MBTL1 (0.51) SIGMAR1L3MBTL1
SCHEMBL633990 0.80 L3MBTL1 (0.51) SIGMAR1L3MBTL1
SCHEMBL633993 0.78 NR3C2 (0.41) MCHR1SIGMAR1KCNH2
SCHEMBL633992 0.78 NR3C2 (0.41) MCHR1SIGMAR1KCNH2
SCHEMBL633981 0.78 KCNH2 (0.45) MCHR1SIGMAR1KCNH2
SCHEMBL632837 0.78 KCNH2 (0.45) MCHR1SIGMAR1KCNH2
SCHEMBL633193 0.77 L3MBTL1 (0.43) SIGMAR1L3MBTL1
SCHEMBL633194 0.77 L3MBTL1 (0.43) SIGMAR1L3MBTL1
SCHEMBL634111 0.72 SIGMAR1 (0.36) SIGMAR1KCNH2

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-9505750-B2 5-aminocyclylmethyl-oxazolidin-2-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-29 US disclosed
EP-2245028-B1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-02-22 EP disclosed
US-20110003789-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2011-01-06 US disclosed
EP-2245028-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-11-03 EP disclosed
WO-2009077989-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 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 (1 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-20110003789-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES CNKSR1, KCNH1, CBR3 MCHR1 179/4885SIGMAR1 28/4885L3MBTL1 2851/4885

“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.