SCHEMBL2295263

SCHEMBL2295263

COc1ccc(CNC[C@H](O)c2ccc(Br)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 1/20 0.56
AOC3 Q16853 1/20 0.55
GAA P10253 4/20 0.54
MEN1 O00255 3/20 0.54
MAPT P10636 3/20 0.54
KMT2A Q03164 3/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ADRB2 P07550 2/20 0.50
ANPEP P15144 1/20 0.50
ERAP2 Q6P179 1/20 0.50
IGF1R P08069 1/20 0.48
LMNA P02545 2/20 0.48
OPRK1 P41145 1/20 0.47
DNM1 Q05193 1/20 0.47

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
SCHEMBL27711227 1.00 ADRB3 (0.56) ADRB3AOC3GAAMEN1MAPT
SCHEMBL2296487 1.00 ADRB3 (0.56) ADRB3AOC3GAAMEN1MAPT
SCHEMBL2295329 0.86 ADRB3 (0.56) ADRB3AOC3GAAMAPTNPC1
SCHEMBL27731764 0.86 MITF (0.63) ADRB3AOC3GAAMEN1MAPT
SCHEMBL2296911 0.86 ADRB3 (0.56) ADRB3AOC3GAAMAPTNPC1
SCHEMBL2293496 0.86 MITF (0.63) ADRB3AOC3GAAMEN1MAPT
SCHEMBL2297389 0.86 MITF (0.63) ADRB3AOC3GAAMEN1MAPT
SCHEMBL22461412 0.85 KDM4E (0.67) ADRB3AOC3GAAMEN1KMT2A
SCHEMBL6715245 0.85 KDM4E (0.60) ADRB3AOC3GAAMEN1MAPT
SCHEMBL2292371 0.81 ADRB3 (0.64) ADRB3AOC3GAAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-18 US claimed
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
EP-2221305-A1 Method for synthesizing intermediate compound for synthesizing a pharmaceutical agent Mitsubishi Tanabe Pharma Corporation (JP) 2010-08-25 EP disclosed
EP-2221304-A1 Method for synthesizing intermediate compound for synthesizing a pharmaceutical agent Mitsubishi Tanabe Pharma Corporation (JP) 2010-08-25 EP disclosed
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-18 US 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 (3 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 ADRB3 1845/4885AOC3 2101/4885GAA 1873/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 ADRB3 1845/4885AOC3 2101/4885GAA 1873/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 ADRB3 1845/4885AOC3 2101/4885GAA 1873/4885

“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.