SCHEMBL8263151

SCHEMBL8263151

COc1ccc2occc2c1C(=O)NC(c1ccccc1)C1(N(C)C)CCCC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 5/20 0.43
MAPK1 P28482 8/20 0.38
CYP1A1 P04798 2/20 0.36
CYP1B1 Q16678 2/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.34
ABCB1 P08183 1/20 0.33
PTPN1 P18031 1/20 0.33
ALOX5 P09917 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL3240768 0.83 SLC6A9 (0.58) SLC6A9MAPK1KMT2ASLC6A5ALDH1A1
SCHEMBL3257622 0.83 ALDH1A1 (0.38) SLC6A9KMT2ASLC6A5ALDH1A1HPGD
SCHEMBL3255158 0.81 SLC6A9 (0.37) SLC6A9KMT2AALDH1A1HPGD
SCHEMBL3233042 0.80 SLC6A9 (0.52) SLC6A9SLC6A5ALDH1A1HPGD
SCHEMBL3237933 0.79 TAS1R3 (0.46) SLC6A9KMT2AALDH1A1
SCHEMBL3237351 0.79 SLC6A9 (0.51) SLC6A9SLC6A5ALDH1A1HPGD
SCHEMBL8264425 0.78 SLC6A9 (0.50) SLC6A9KMT2AALDH1A1HPGD
SCHEMBL4357362 0.78 PLK1 (0.50) SLC6A9CYP1A2KMT2AALDH1A1HPGD
SCHEMBL3238270 0.77 ALDH1A1 (0.57) SLC6A9MAPK1KMT2AALDH1A1HPGD
SCHEMBL3243717 0.77 SLC6A9 (0.42) SLC6A9KMT2ASLC6A5ALDH1A1HPGD

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
EP-1833811-B1 OXYGEN CONTAINING HETEROCYCLES AS GLYCINE TRANSPORTER INHIBITING COMPOUNDS GLAXO GROUP LTD (GB) 2010-06-02 EP disclosed
WO-2006067437-A1 OXYGEN CONTAINING HETEROCYCLES AS GLYCINE TRANSPORTER INHIBITING COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-06-29 WO 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 37/4885MAPK1 2553/4885CYP1A1 170/4885

“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.