SCHEMBL2292241

SCHEMBL2292241

CNC[C@@H](O)c1cccc(F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 4/20 0.67
ADRA2A P08913 4/20 0.67
ADRB3 P13945 4/20 0.67
ADRA2B P18089 4/20 0.67
ADRA2C P18825 4/20 0.67
HIF1A Q16665 3/20 0.67
ADRB2 P07550 3/20 0.67
TSHR P16473 2/20 0.67
DRD1 P21728 2/20 0.67
ADRA1A P35348 2/20 0.67
ADRA1B P35368 2/20 0.67
DRD3 P35462 2/20 0.67
HTR1A P08908 2/20 0.67
NFKB1 P19838 1/20 0.67
HTR7 P34969 1/20 0.67
RAB9A P51151 1/20 0.67
SLC6A3 Q01959 1/20 0.67
KDM4E B2RXH2 3/20 0.65
BLM P54132 3/20 0.65
LMNA P02545 1/20 0.65

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
SCHEMBL2291430 1.00 ADRB1 (0.67) ADRB1ADRA2AADRB3ADRA2BADRA2C
SCHEMBL3443317 1.00 ADRB1 (0.67) ADRB1ADRA2AADRB3ADRA2BADRA2C
SCHEMBL10485403 0.83 TSHR (0.58) ADRB1ADRB3HIF1AADRB2TSHR
SCHEMBL27711232 0.83 HIF1A (0.69) ADRB1ADRA2AADRB3ADRA2BADRA2C
SCHEMBL6050357 0.83 SLC6A4 (0.54) ADRB1ADRA2AADRB3ADRA2BADRA2C
SCHEMBL30324664 0.83 TSHR (0.58) ADRB1ADRB3HIF1AADRB2TSHR
SCHEMBL2291633 0.83 HIF1A (0.69) ADRB1ADRA2AADRB3ADRA2BADRA2C
SCHEMBL2293713 0.83 HIF1A (0.69) ADRB1ADRA2AADRB3ADRA2BADRA2C
SCHEMBL18884493 0.82 AOC3 (0.61) ADRB1ADRA2AADRB3ADRA2BADRA2C
SCHEMBL30956707 0.81 ADRB2 (0.54) ADRB1HIF1AADRB2TSHRNFKB1

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 12 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
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use WYETH (US) 2009-04-09 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 (4 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 ADRB1 845/4885ADRA2A 1785/4885ADRB3 1845/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 ADRB1 845/4885ADRA2A 1785/4885ADRB3 1845/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 ADRB1 845/4885ADRA2A 1785/4885ADRB3 1845/4885
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT ADRB1 85/4885ADRA2A 65/4885ADRB3 50/4885

“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.