SCHEMBL2298146

SCHEMBL2298146

COc1ccc(CN2C[C@H](c3ccc(F)cc3)OCC2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
POLB P06746 1/20 0.47
TP53 P04637 2/20 0.47
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DRD4 P21917 1/20 0.46
GRM2 Q14416 1/20 0.46
RGS4 P49798 1/20 0.45
RGS8 P57771 1/20 0.45
TACR1 P25103 1/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
FADS1 O60427 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL2290280 1.00 MEN1 (0.48) MEN1KMT2ANPSR1ALDH1A1GAA
SCHEMBL4631607 0.96 MEN1 (0.51) MEN1KMT2ANPSR1ALDH1A1GAA
SCHEMBL2290463 0.89 KMT2A (0.50) MEN1KMT2AALDH1A1GAAPOLB
SCHEMBL2293140 0.89 KMT2A (0.50) MEN1KMT2AALDH1A1GAAPOLB
SCHEMBL2295822 0.88 GRM2 (0.46) MEN1KMT2AALDH1A1GAAPOLB
SCHEMBL2293984 0.88 GRM2 (0.46) MEN1KMT2AALDH1A1GAAPOLB
SCHEMBL2298062 0.87 DRD4 (0.46) MEN1KMT2AALDH1A1POLBDRD4
SCHEMBL2294882 0.87 DRD4 (0.46) MEN1KMT2AALDH1A1POLBDRD4
SCHEMBL2296357 0.85 GRM2 (0.43) MEN1KMT2AALDH1A1GAAGRM2
SCHEMBL2294029 0.85 GRM2 (0.43) MEN1KMT2AALDH1A1GAAGRM2

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 9 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
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP claimed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO 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 MEN1 1671/4885KMT2A 1798/4885NPSR1 4084/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 MEN1 1671/4885KMT2A 1798/4885NPSR1 4084/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 MEN1 1671/4885KMT2A 1798/4885NPSR1 4084/4885

“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.