SCHEMBL3255158

SCHEMBL3255158

CN(C)C1(C(NC(=O)c2cccc3occc23)c2ccccc2)CCCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 10/20 0.37
KMT2A Q03164 2/20 0.36
MRGPRX1 Q96LB2 1/20 0.36
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TSHR P16473 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL3255543 0.87 KMT2A (0.46) KMT2ALMNAHPGD
SCHEMBL8263151 0.81 SLC6A9 (0.43) SLC6A9KMT2AHPGDALDH1A1
SCHEMBL3257622 0.81 ALDH1A1 (0.38) SLC6A9KMT2ALMNAHPGDALDH1A1
SCHEMBL3237287 0.79 SLC6A9 (0.45) SLC6A9LMNAHPGD
SCHEMBL3232935 0.79 SLC6A9 (0.47) SLC6A9KMT2ALMNA
SCHEMBL3236131 0.78 ALDH1A1 (0.41) SLC6A9LMNAHPGDALDH1A1KDM4E
SCHEMBL4367407 0.78 NSD2 (0.48) SLC6A9ALDH1A1KDM4E
SCHEMBL3244891 0.78 SLC6A9 (0.59) SLC6A9
SCHEMBL4356991 0.78 SCN9A (0.49) SLC6A9KMT2ALMNAHPGD
SCHEMBL4355261 0.78 CXCR5 (0.44) SLC6A9KMT2ALMNAHPGD

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-20100137428-A1 OXYGEN CONTAINING HETEROCYCLES AS GLYCINE TRANSPORTER INHIBITING COMPOUNDS GLAXO GROUP LIMITED 2010-06-03 US disclosed
US-20100137428-A1 OXYGEN CONTAINING HETEROCYCLES AS GLYCINE TRANSPORTER INHIBITING COMPOUNDS GLAXO GROUP LIMITED 2010-06-03 US disclosed
US-20100137428-A1 OXYGEN CONTAINING HETEROCYCLES AS GLYCINE TRANSPORTER INHIBITING COMPOUNDS GLAXO GROUP LIMITED 2010-06-03 US disclosed
EP-1833811-B1 OXYGEN CONTAINING HETEROCYCLES AS GLYCINE TRANSPORTER INHIBITING COMPOUNDS GLAXO GROUP LTD (GB) 2010-06-02 EP 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-20100137428-A1 OXYGEN CONTAINING HETEROCYCLES AS GLYCINE TRANSPORTER INHIBITING COMPOUNDS SLC18A2, SLC1A2, SLC6A3 SLC6A9 37/4885KMT2A 1688/4885MRGPRX1 953/4885

“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.