SCHEMBL2296463

SCHEMBL2296463

C[C@H](c1ccccc1)N1CCO[C@H](c2ccc(OS(C)(=O)=O)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MOGAT2 Q3SYC2 2/20 0.43
LTA4H P09960 3/20 0.39
CNR2 P34972 1/20 0.38
CYP2D6 P10635 1/20 0.38
BRD4 O60885 2/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2B P41595 1/20 0.38
MGAT2 Q10469 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
MC4R P32245 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CCR5 P51681 1/20 0.35

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
SCHEMBL2294914 1.00 MOGAT2 (0.43) MOGAT2LTA4HCNR2CYP2D6BRD4
SCHEMBL2299687 1.00 MOGAT2 (0.43) MOGAT2LTA4HCNR2CYP2D6BRD4
SCHEMBL2298058 1.00 MOGAT2 (0.43) MOGAT2LTA4HCNR2CYP2D6BRD4
SCHEMBL2296987 0.89 MOGAT2 (0.40) MOGAT2LTA4HCNR2CYP2D6BRD4
SCHEMBL2294378 0.89 MOGAT2 (0.40) MOGAT2LTA4HCNR2CYP2D6BRD4
SCHEMBL4164179 0.89 MOGAT2 (0.40) MOGAT2LTA4HCNR2CYP2D6BRD4
SCHEMBL2296254 0.89 MOGAT2 (0.40) MOGAT2LTA4HCNR2CYP2D6BRD4
SCHEMBL2294004 0.89 MOGAT2 (0.40) MOGAT2LTA4HCNR2CYP2D6BRD4
SCHEMBL4599753 0.87 MOGAT2 (0.40) MOGAT2CNR2CYP2D6CHRM2HTR1A
SCHEMBL2294612 0.86 ALDH1A1 (0.40) MOGAT2LTA4HCYP2D6BRD4CHRM2

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 MOGAT2 2303/4885LTA4H 4031/4885CNR2 4163/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 MOGAT2 2303/4885LTA4H 4031/4885CNR2 4163/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 MOGAT2 2303/4885LTA4H 4031/4885CNR2 4163/4885

“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.