SCHEMBL2298342

SCHEMBL2298342

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

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.40
USP30 Q70CQ3 2/20 0.40
PDE10A Q9Y233 1/20 0.39
PDE2A O00408 1/20 0.39
DRD3 P35462 2/20 0.38
CCR1 P32246 1/20 0.37
PHGDH O43175 1/20 0.37

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
SCHEMBL2297060 1.00 GRIN2B (0.40) GRIN2BUSP30PDE10APDE2ADRD3
SCHEMBL2297679 0.89 MOGAT2 (0.44) GRIN2BUSP30PDE10APDE2ADRD3
SCHEMBL2298215 0.89 USP30 (0.39) USP30DRD3
SCHEMBL2296411 0.89 USP30 (0.39) USP30DRD3
SCHEMBL2294164 0.89 MOGAT2 (0.44) GRIN2BUSP30PDE10APDE2ADRD3
SCHEMBL2295521 0.86 PDE10A (0.43) GRIN2BUSP30PDE10APDE2A
SCHEMBL2293809 0.86 PDE10A (0.43) GRIN2BUSP30PDE10APDE2A
SCHEMBL2295526 0.85 MAPT (0.45) USP30PHGDH
SCHEMBL2293763 0.85 MAPT (0.45) USP30PHGDH
SCHEMBL2297496 0.84 MOGAT2 (0.37) USP30PDE2A

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 GRIN2B 2131/4885USP30 3057/4885PDE10A 240/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 GRIN2B 2131/4885USP30 3057/4885PDE10A 240/4885

“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.