SCHEMBL2298151

SCHEMBL2298151

CCOC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
GRIN2B Q13224 1/20 0.47
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TSHR P16473 2/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.43
DPP4 P27487 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
SCHEMBL2298916 1.00 POLB (0.47) POLBGRIN2BALDH1A1MAPTSMN1; SMN2
SCHEMBL2295823 0.87 ALDH1A1 (0.44) POLBGRIN2BALDH1A1SMN1; SMN2TSHR
SCHEMBL2295477 0.87 ALDH1A1 (0.44) POLBGRIN2BALDH1A1SMN1; SMN2TSHR
SCHEMBL2296318 0.87 GRIN2B (0.51) GRIN2BALDH1A1MAPTTSHRCYP1A2
SCHEMBL2294991 0.87 GRIN2B (0.51) GRIN2BALDH1A1MAPTTSHRCYP1A2
SCHEMBL2295521 0.87 PDE10A (0.43) GRIN2B
SCHEMBL2293809 0.87 PDE10A (0.43) GRIN2B
SCHEMBL19002796 0.84 EPHX2 (0.43)
Hydrochloric Acid SCHEMBL27861758 0.84 GRIN2B (0.43) GRIN2BTSHRKMT2A
SCHEMBL2298342 0.84 GRIN2B (0.40) GRIN2B

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 POLB 2580/4885GRIN2B 2131/4885ALDH1A1 1251/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 POLB 2580/4885GRIN2B 2131/4885ALDH1A1 1251/4885

“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.