SCHEMBL2296079

SCHEMBL2296079

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.49
MAPT P10636 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
PRMT5 O14744 1/20 0.47
LMNA P02545 4/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
EGFR P00533 2/20 0.46
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 2/20 0.45
HTT P42858 2/20 0.45
NR1H4 Q96RI1 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL2294849 1.00 GRIN2B (0.49) GRIN2BMAPTL3MBTL1PRMT5LMNA
SCHEMBL2294330 0.90 MAOB (0.46) GRIN2BMAPTALDH1A1HPGDNPC1
SCHEMBL2294725 0.90 MAOB (0.46) GRIN2BMAPTALDH1A1HPGDNPC1
SCHEMBL2299865 0.88 ALDH1A1 (0.46) GRIN2BMAPTNPSR1MEN1KMT2A
SCHEMBL2298823 0.88 ALDH1A1 (0.46) GRIN2BMAPTNPSR1MEN1KMT2A
SCHEMBL3372267 0.88 NAAA (0.47) GRIN2BMAPTALDH1A1EGFRNPC1
SCHEMBL3371664 0.88 NAAA (0.47) GRIN2BMAPTALDH1A1EGFRNPC1
SCHEMBL2299064 0.87 S1PR5 (0.43) GRIN2BMAPTL3MBTL1LMNANPSR1
SCHEMBL2300001 0.87 S1PR5 (0.43) GRIN2BMAPTL3MBTL1LMNANPSR1
SCHEMBL27731829 0.85 S1PR5 (0.43) GRIN2BMAPTALDH1A1EGFRNPC1

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 2131/4885MAPT 1/4885L3MBTL1 4453/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 GRIN2B 2131/4885MAPT 1/4885L3MBTL1 4453/4885

“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.