SCHEMBL2294982

SCHEMBL2294982

COC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.41
PDE4B Q07343 3/20 0.40
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
MGLL Q99685 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.37
KRAS P01116 3/20 0.37
EPHA2 P29317 1/20 0.37
AKR1C3 P42330 1/20 0.37

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
SCHEMBL2299421 1.00 USP30 (0.41) USP30PDE4BPDE4APDE4CPDE4D
SCHEMBL2295477 0.87 ALDH1A1 (0.44) PDE4BALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL2295823 0.87 ALDH1A1 (0.44) PDE4BALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL2296518 0.86 PKM (0.45) USP30PDE4BPDE4APDE4CPDE4D
SCHEMBL2293809 0.86 PDE10A (0.43) USP30PDE4BPDE4APDE4CPDE4D
SCHEMBL2295521 0.86 PDE10A (0.43) USP30PDE4BPDE4APDE4CPDE4D
SCHEMBL2296226 0.86 PKM (0.45) USP30PDE4BPDE4APDE4CPDE4D
SCHEMBL503531 0.86 RORC (0.49) USP30PDE4BSMN1; SMN2EPHA2
SCHEMBL503532 0.86 RORC (0.49) USP30PDE4BSMN1; SMN2EPHA2
SCHEMBL1993504 0.86 RORC (0.49) USP30PDE4BSMN1; SMN2EPHA2

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
CN-101228142-A Intermediate compounds for the synthesis of pharmaceutical preparations, and process for their preparation MITSUBISHI TANABE PHARMA CORP (JP) 2008-07-23 CN claimed
US-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-20 US disclosed
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-13 US disclosed
US-7994315-B2 Intermediate compound for synthesizing pharmaceutical agent and production method thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
CN-102120741-A Production method of an optically active compound MITSUBISHI TANABE PHARMA CORP 2011-07-13 CN disclosed
CN-102050820-A Preparation method of compound with optical activity MITSUBISHI TANABE PHARMA CORP 2011-05-11 CN disclosed
CN-101228142-A Intermediate compounds for the synthesis of pharmaceutical preparations, and process for their preparation MITSUBISHI TANABE PHARMA CORP (JP) 2008-07-23 CN 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-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 USP30 3057/4885PDE4B 339/4885PDE4A 479/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 USP30 3057/4885PDE4B 339/4885PDE4A 479/4885

“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.