SCHEMBL375511

SCHEMBL375511

c1ccc(OCCNC2CCOCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
ADRA1A P35348 4/20 0.51
ALDH1A1 P00352 6/20 0.50
FOXM1 Q08050 1/20 0.50
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTR1B P28222 2/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
HTR1D P28221 1/20 0.47

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
SCHEMBL29731227 0.84 KDM4E (0.54) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL2352175 0.83 KDM4E (0.69) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL2668605 0.81 KDM4E (0.56) KDM4ECYP1A2CYP2D6CYP2C19ADRA1A
SCHEMBL12204045 0.81 KDM4E (0.56) KDM4ECYP1A2CYP2D6CYP2C19ADRA1A
SCHEMBL8218962 0.81 KDM4E (0.53) KDM4ECYP1A2CYP2D6CYP2C19ADRA1A
SCHEMBL23074698 0.79 ALDH1A1 (0.70) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL12204135 0.79 ALDH1A1 (0.70) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL1547735 0.79 ALDH1A1 (0.70) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL23640031 0.78 KDM4E (0.50) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL2659080 0.76 KDM4E (0.57) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1

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-8623898-B2 Glycine transporter inhibiting substances TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-01-07 US disclosed
EP-2409976-A1 GLYCINE TRANSPORTER INHIBITOR Taisho Pharmaceutical Co., Ltd. (JP) 2012-01-25 EP disclosed
US-20120010414-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 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-20120010414-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES SLC18A2, SLC1A2, SLC6A1 KDM4E 4384/4885CYP1A2 901/4885CYP2D6 850/4885

“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.