SCHEMBL2295477

SCHEMBL2295477

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.42
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
PDE4B Q07343 1/20 0.42
GRIN2B Q13224 4/20 0.41
RECQL P46063 1/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL2295823 1.00 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPK1KMT2ATSHR
SCHEMBL2296318 0.87 GRIN2B (0.51) ALDH1A1MAPK1KMT2ATSHRLMNA
SCHEMBL2294991 0.87 GRIN2B (0.51) ALDH1A1MAPK1KMT2ATSHRLMNA
SCHEMBL2298916 0.87 POLB (0.47) ALDH1A1SMN1; SMN2KMT2ATSHRLMNA
SCHEMBL2298151 0.87 POLB (0.47) ALDH1A1SMN1; SMN2KMT2ATSHRLMNA
SCHEMBL2299421 0.87 USP30 (0.41) ALDH1A1SMN1; SMN2KMT2APOLBPDE4B
SCHEMBL2294982 0.87 USP30 (0.41) ALDH1A1SMN1; SMN2KMT2APOLBPDE4B
SCHEMBL31198730 0.84 MEN1 (0.55) SMN1; SMN2KMT2APDE4BGRIN2B
SCHEMBL28807580 0.84 EPHX2 (0.43) ALDH1A1KMT2APOLBGAA
Hydrochloric Acid SCHEMBL27861758 0.84 GRIN2B (0.43) KMT2ATSHRPDE4BGRIN2BRECQL

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 ALDH1A1 1251/4885SMN1; SMN2 849/4885MAPK1 28/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 ALDH1A1 1251/4885SMN1; SMN2 849/4885MAPK1 28/4885

“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.