SCHEMBL2292909

SCHEMBL2292909

COc1ccc(CN2C[C@@H](c3ccc(OCc4ccccc4)cc3)OCC2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.54
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
FAAH O00519 1/20 0.46
MGLL Q99685 1/20 0.46
MMP13 P45452 1/20 0.45
S1PR5 Q9H228 1/20 0.45
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
DRD4 P21917 1/20 0.43
TP53 P04637 3/20 0.43
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.42
REV1 Q9UBZ9 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL2294186 1.00 GRM2 (0.54) GRM2MEN1KMT2AFAAHMGLL
SCHEMBL322596 0.94 GRM2 (0.55) GRM2MMP13S1PR5HRH3TP53
SCHEMBL2293382 0.94 GRM2 (0.55) GRM2MMP13S1PR5HRH3TP53
SCHEMBL2295623 0.94 GRM2 (0.55) GRM2MMP13S1PR5HRH3TP53
SCHEMBL4631607 0.88 MEN1 (0.51) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL2291625 0.86 TDP1 (0.43) GRM2S1PR5PDE4APDE4BPDE4C
SCHEMBL2298797 0.86 TDP1 (0.43) GRM2S1PR5PDE4APDE4BPDE4C
SCHEMBL2295254 0.86 GRM2 (0.48) GRM2MEN1KMT2AS1PR5TP53
SCHEMBL2297986 0.86 GRM2 (0.48) GRM2MEN1KMT2AS1PR5TP53
SCHEMBL2290463 0.85 KMT2A (0.50) GRM2MEN1KMT2AMMP13DRD4

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 GRM2 1252/4885MEN1 1671/4885KMT2A 1798/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 GRM2 1252/4885MEN1 1671/4885KMT2A 1798/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 GRM2 1252/4885MEN1 1671/4885KMT2A 1798/4885

“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.