SCHEMBL2295706

SCHEMBL2295706

CCOC(=O)N1CCO[C@@H](c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
ALDH1A1 P00352 3/20 0.55
MAPT P10636 2/20 0.55
LMNA P02545 1/20 0.55
KMT2A Q03164 6/20 0.51
MEN1 O00255 3/20 0.50
POLB P06746 1/20 0.47
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
KDM4E B2RXH2 1/20 0.45
KCNJ1 P48048 1/20 0.45
KCNH2 Q12809 1/20 0.45
GAA P10253 1/20 0.44
ADORA3 P0DMS8 1/20 0.42
NPC1 O15118 1/20 0.42
MTOR P42345 1/20 0.42
RAB9A P51151 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
SCHEMBL2292562 1.00 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1MAPTLMNAKMT2A
SCHEMBL2296382 0.88 KMT2A (0.44) SMN1; SMN2ALDH1A1MAPTLMNAKMT2A
SCHEMBL2294411 0.88 KMT2A (0.44) SMN1; SMN2ALDH1A1MAPTLMNAKMT2A
SCHEMBL16796544 0.85 MAPT (0.56) SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL1681464 0.85 MAPT (0.56) SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL16796552 0.85 MAPT (0.56) SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL2295578 0.85 CYP1A2 (0.52)
SCHEMBL2294852 0.85 CYP1A2 (0.52)
SCHEMBL2295526 0.84 MAPT (0.45) SMN1; SMN2ALDH1A1MAPTLMNAPOLB
SCHEMBL2293763 0.84 MAPT (0.45) SMN1; SMN2ALDH1A1MAPTLMNAPOLB

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 SMN1; SMN2 849/4885ALDH1A1 1251/4885MAPT 1/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 SMN1; SMN2 849/4885ALDH1A1 1251/4885MAPT 1/4885

“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.