SCHEMBL2299064

SCHEMBL2299064

CC(Cl)OC(=O)N1CCO[C@H](c2ccc(OCc3ccccc3)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 1/20 0.43
GRIN2B Q13224 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TP53 P04637 3/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.42
MEN1 O00255 1/20 0.42
ALOX15 P16050 1/20 0.42
CNR2 P34972 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
KDM1A O60341 2/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
NAAA Q02083 1/20 0.41

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
SCHEMBL2300001 1.00 S1PR5 (0.43) S1PR5GRIN2BSMN1; SMN2LMNARAB9A
SCHEMBL2294330 0.88 MAOB (0.46) S1PR5GRIN2BSMN1; SMN2RAB9AALDH1A1
SCHEMBL2294725 0.88 MAOB (0.46) S1PR5GRIN2BSMN1; SMN2RAB9AALDH1A1
SCHEMBL2294849 0.87 GRIN2B (0.49) GRIN2BSMN1; SMN2LMNARAB9AALDH1A1
SCHEMBL2296079 0.87 GRIN2B (0.49) GRIN2BSMN1; SMN2LMNARAB9AALDH1A1
SCHEMBL2298823 0.85 ALDH1A1 (0.46) S1PR5GRIN2BSMN1; SMN2RAB9AALDH1A1
SCHEMBL2299865 0.85 ALDH1A1 (0.46) S1PR5GRIN2BSMN1; SMN2RAB9AALDH1A1
SCHEMBL3372267 0.85 NAAA (0.47) S1PR5GRIN2BSMN1; SMN2RAB9AALDH1A1
SCHEMBL3371664 0.85 NAAA (0.47) S1PR5GRIN2BSMN1; SMN2RAB9AALDH1A1
SCHEMBL27731829 0.84 S1PR5 (0.43) S1PR5GRIN2BSMN1; SMN2RAB9AALDH1A1

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 4 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
EP-2221304-A1 Method for synthesizing intermediate compound for synthesizing a pharmaceutical agent Mitsubishi Tanabe Pharma Corporation (JP) 2010-08-25 EP 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 S1PR5 3304/4885GRIN2B 2131/4885SMN1; SMN2 849/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 S1PR5 3304/4885GRIN2B 2131/4885SMN1; SMN2 849/4885

“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.