SCHEMBL2294030

SCHEMBL2294030

O[C@@H](CNCCc1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.64
KDM4E B2RXH2 2/20 0.54
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ADRB3 P13945 9/20 0.53
ADRA1D P25100 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ADRB1 P08588 1/20 0.50

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
SCHEMBL2296169 1.00 ADRB2 (0.64) ADRB2KDM4EGAASMN1; SMN2TDP1
SCHEMBL5964037 0.94 ADRB2 (0.71) ADRB2KDM4EGAASMN1; SMN2TDP1
SCHEMBL10720145 0.89 ADRB2 (0.77) ADRB2KDM4EGAASMN1; SMN2TDP1
SCHEMBL2292601 0.84 ADRB2 (0.64) ADRB2KDM4EGAASMN1; SMN2TDP1
SCHEMBL2294551 0.84 ADRB2 (0.64) ADRB2KDM4EGAASMN1; SMN2TDP1
SCHEMBL2295875 0.84 ADRB2 (0.64) ADRB2KDM4EGAASMN1; SMN2TDP1
SCHEMBL2298222 0.84 ADRB2 (0.64) ADRB2KDM4EGAASMN1; SMN2TDP1
SCHEMBL2296862 0.84 LMNA (0.62) ADRB2KDM4EADRB3ADRA1DL3MBTL1
SCHEMBL2295213 0.84 LMNA (0.62) ADRB2KDM4EADRB3ADRA1DL3MBTL1
SCHEMBL323956 0.84 LMNA (0.62) ADRB2KDM4EADRB3ADRA1DL3MBTL1

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
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-18 US 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
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

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 ADRB2 1160/4885KDM4E 842/4885GAA 1873/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 ADRB2 1160/4885KDM4E 842/4885GAA 1873/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 ADRB2 1160/4885KDM4E 842/4885GAA 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.