SCHEMBL4398746

SCHEMBL4398746

O=C1N[C@@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.41
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 5/20 0.34
MAPK10 P53779 1/20 0.34
CFTR P13569 1/20 0.33
GOPC Q9HD26 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
KCNN4 O15554 1/20 0.32
GRM5 P41594 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
CACNA1F O60840 1/20 0.32
CYP2C9 P11712 1/20 0.32
HTR2A P28223 1/20 0.32
HRH1 P35367 1/20 0.32
SCN1A P35498 1/20 0.32
SCN4A P35499 1/20 0.32

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
SCHEMBL15670207 0.89 KCNN4 (0.44) CA2MAPTMEN1KMT2AKDM4E
SCHEMBL15670884 0.82 GRM5 (0.37) CA2MAPTMEN1KMT2AKCNN4
SCHEMBL15670885 0.82 GRM5 (0.37) CA2MAPTMEN1KMT2AKCNN4
SCHEMBL15670552 0.79 KCNN4 (0.37) CA2MAPTMEN1KMT2AALDH1A1
SCHEMBL15670551 0.79 KCNN4 (0.37) CA2MAPTMEN1KMT2AALDH1A1
SCHEMBL2366727 0.76 CA2 (0.42) CA2MAPTMEN1KMT2AALDH1A1
SCHEMBL30812516 0.76 CRHBP (0.38) CA2MEN1KMT2AALDH1A1CFTR
SCHEMBL5872391 0.76 CRHBP (0.38) CA2MEN1KMT2AALDH1A1CFTR
SCHEMBL5872386 0.76 CRHBP (0.38) CA2MEN1KMT2AALDH1A1CFTR
SCHEMBL1443388 0.76 CA2 (0.42) CA2MAPTMEN1KMT2AALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178665-B2 Process for the production of ezetimibe and intermediates used in this process RICHTER GEDEON NYRT. (HU) 2012-05-15 US disclosed
US-8178665-B2 Process for the production of ezetimibe and intermediates used in this process RICHTER GEDEON NYRT. (HU) 2012-05-15 US disclosed
US-20090216009-A1 PROCESS FOR THE PRODUCTION OF EZETIMIBE AND INTERMEDIATES USED IN THIS PROCESS RICHTER GEDEON NYRT. (HU) 2009-08-27 US disclosed
US-20090216009-A1 PROCESS FOR THE PRODUCTION OF EZETIMIBE AND INTERMEDIATES USED IN THIS PROCESS RICHTER GEDEON NYRT. (HU) 2009-08-27 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 (1 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-20090216009-A1 PROCESS FOR THE PRODUCTION OF EZETIMIBE AND INTERMEDIATES USED IN THIS PROCESS APOB, HMGCR, PCSK9 CA2 3417/4885MAPT 3554/4885MEN1 2791/4885

“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.