SCHEMBL2293496

SCHEMBL2293496

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.63
LMNA P02545 1/20 0.63
CNR1 P21554 1/20 0.63
CNR2 P34972 1/20 0.63
GPR35 Q9HC97 1/20 0.63
GPR55 Q9Y2T6 1/20 0.63
XBP1 P17861 1/20 0.63
MAPK1 P28482 1/20 0.63
HTT P42858 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ADRB3 P13945 1/20 0.56
AOC3 Q16853 1/20 0.55
ATM Q13315 2/20 0.54
NPC1 O15118 1/20 0.53
GAA P10253 2/20 0.51
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL27731764 1.00 MITF (0.63) MITFLMNACNR1CNR2GPR35
SCHEMBL2297389 1.00 MITF (0.63) MITFLMNACNR1CNR2GPR35
SCHEMBL2295263 0.86 ADRB3 (0.56) MITFLMNACNR1CNR2GPR35
SCHEMBL27711227 0.86 ADRB3 (0.56) MITFLMNACNR1CNR2GPR35
SCHEMBL2296487 0.86 ADRB3 (0.56) MITFLMNACNR1CNR2GPR35
SCHEMBL2295329 0.86 ADRB3 (0.56) LMNACNR2HTTNPSR1ADRB3
SCHEMBL2296911 0.86 ADRB3 (0.56) LMNACNR2HTTNPSR1ADRB3
SCHEMBL22461412 0.85 KDM4E (0.67) LMNAMEN1KMT2AADRB3AOC3
SCHEMBL6715245 0.85 KDM4E (0.60) LMNACNR2HTTMEN1KMT2A
SCHEMBL2299398 0.84 ADRB3 (0.55) MITFLMNACNR1CNR2GPR35

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 MITF 301/4885LMNA 3268/4885CNR1 3671/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 MITF 301/4885LMNA 3268/4885CNR1 3671/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 MITF 301/4885LMNA 3268/4885CNR1 3671/4885

“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.