SCHEMBL2294725

SCHEMBL2294725

COC(=O)N1CCO[C@H](c2ccc(OCc3ccccc3)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.46
KDM1A O60341 2/20 0.46
MAOA P21397 2/20 0.46
GRIN2B Q13224 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 1/20 0.44
NAAA Q02083 1/20 0.44
S1PR5 Q9H228 1/20 0.44
FAAH O00519 1/20 0.43
GRM5 P41594 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 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
SCHEMBL2294330 1.00 MAOB (0.46) MAOBKDM1AMAOAGRIN2BSMN1; SMN2
SCHEMBL2296079 0.90 GRIN2B (0.49) GRIN2BSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2294849 0.90 GRIN2B (0.49) GRIN2BSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2298823 0.89 ALDH1A1 (0.46) MAOBKDM1AMAOAGRIN2BSMN1; SMN2
SCHEMBL2299865 0.89 ALDH1A1 (0.46) MAOBKDM1AMAOAGRIN2BSMN1; SMN2
SCHEMBL3372267 0.89 NAAA (0.47) MAOBKDM1AMAOAGRIN2BSMN1; SMN2
SCHEMBL3371664 0.89 NAAA (0.47) MAOBKDM1AMAOAGRIN2BSMN1; SMN2
SCHEMBL2300001 0.88 S1PR5 (0.43) MAOBKDM1AMAOAGRIN2BSMN1; SMN2
SCHEMBL2299064 0.88 S1PR5 (0.43) MAOBKDM1AMAOAGRIN2BSMN1; SMN2
SCHEMBL27711213 0.85 S1PR5 (0.43) MAOBKDM1AMAOAGRIN2BSMN1; SMN2

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
CN-101228142-A Intermediate compounds for the synthesis of pharmaceutical preparations, and process for their preparation MITSUBISHI TANABE PHARMA CORP (JP) 2008-07-23 CN 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
CN-102120741-A Production method of an optically active compound MITSUBISHI TANABE PHARMA CORP 2011-07-13 CN disclosed
CN-102050820-A Preparation method of compound with optical activity MITSUBISHI TANABE PHARMA CORP 2011-05-11 CN disclosed
CN-101228142-A Intermediate compounds for the synthesis of pharmaceutical preparations, and process for their preparation MITSUBISHI TANABE PHARMA CORP (JP) 2008-07-23 CN 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 MAOB 653/4885KDM1A 656/4885MAOA 328/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 MAOB 653/4885KDM1A 656/4885MAOA 328/4885

“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.