SCHEMBL2295935

SCHEMBL2295935

CCOC(=O)N1CCO[C@@H](c2cccc(F)c2)C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
GRIN2B Q13224 9/20 0.48
DRD3 P35462 3/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP3A4 P08684 1/20 0.44
GRM5 P41594 1/20 0.44
PDE2A O00408 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL2294363 1.00 LMNA (0.52) LMNAGRIN2BDRD3ALDH1A1MAPT
SCHEMBL2296614 0.88 CYP1A2 (0.44) GRIN2BDRD3ALDH1A1TSHRCYP3A4
SCHEMBL2294195 0.88 CYP1A2 (0.44) GRIN2BDRD3ALDH1A1TSHRCYP3A4
SCHEMBL19002800 0.86 DRD3 (0.48) GRIN2BDRD3PDE2A
SCHEMBL2296318 0.85 GRIN2B (0.51) LMNAGRIN2BALDH1A1MAPTTSHR
SCHEMBL2294991 0.85 GRIN2B (0.51) LMNAGRIN2BALDH1A1MAPTTSHR
SCHEMBL25178046 0.85 GPR119 (0.45) LMNAGRIN2BDRD3SMN1; SMN2GRM5
SCHEMBL31116762 0.85 GPR119 (0.45) LMNAGRIN2BDRD3SMN1; SMN2GRM5
SCHEMBL2296833 0.84 SCD5 (0.44) GRIN2BDRD3PDE2A
SCHEMBL2295947 0.84 SCD5 (0.44) GRIN2BDRD3PDE2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 LMNA 3268/4885GRIN2B 2131/4885DRD3 3434/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 LMNA 3268/4885GRIN2B 2131/4885DRD3 3434/4885

“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.