SCHEMBL2299865

SCHEMBL2299865

O=C(Oc1ccccc1)N1CCO[C@H](c2ccc(OCc3ccccc3)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
GRIN2B Q13224 1/20 0.46
KMT2A Q03164 5/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
CNR2 P34972 1/20 0.45
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NAAA Q02083 1/20 0.44
S1PR5 Q9H228 1/20 0.44
FAAH O00519 1/20 0.43
MEN1 O00255 2/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA5 P30532 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
EGFR P00533 1/20 0.42
MAPT P10636 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
SCHEMBL2298823 1.00 ALDH1A1 (0.46) ALDH1A1GRIN2BKMT2ACASP3SENP7
SCHEMBL2293394 0.90 MGLL (0.48) FAAH
SCHEMBL2291795 0.90 MGLL (0.48) FAAH
SCHEMBL2294330 0.89 MAOB (0.46) ALDH1A1GRIN2BCNR2KDM4ENPC1
SCHEMBL2294725 0.89 MAOB (0.46) ALDH1A1GRIN2BCNR2KDM4ENPC1
SCHEMBL3372267 0.89 NAAA (0.47) ALDH1A1GRIN2BCASP3SENP7CNR2
SCHEMBL3371664 0.89 NAAA (0.47) ALDH1A1GRIN2BCASP3SENP7CNR2
SCHEMBL2294849 0.88 GRIN2B (0.49) ALDH1A1GRIN2BKMT2AKDM4ENPC1
SCHEMBL2296079 0.88 GRIN2B (0.49) ALDH1A1GRIN2BKMT2AKDM4ENPC1
SCHEMBL2300001 0.85 S1PR5 (0.43) ALDH1A1GRIN2BKMT2ACNR2NPC1

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 ALDH1A1 1251/4885GRIN2B 2131/4885KMT2A 1798/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 ALDH1A1 1251/4885GRIN2B 2131/4885KMT2A 1798/4885

“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.