SCHEMBL3240768

SCHEMBL3240768

COc1cccc(OC)c1C(=O)NC(c1ccccc1)C1(N(C)C)CCCC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 11/20 0.58
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 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
SCHEMBL3233042 0.93 SLC6A9 (0.52) SLC6A9ALDH1A1HPGDSLC6A5
SCHEMBL3237351 0.92 SLC6A9 (0.51) SLC6A9ALDH1A1HPGDSLC6A5
SCHEMBL8264425 0.91 SLC6A9 (0.50) SLC6A9ALDH1A1HPGDTAAR1KMT2A
SCHEMBL3238270 0.88 ALDH1A1 (0.57) SLC6A9ALDH1A1HPGDKMT2AMAPK1
SCHEMBL3237933 0.86 TAS1R3 (0.46) SLC6A9ALDH1A1KMT2A
SCHEMBL8260689 0.85 SLC6A9 (0.43) SLC6A9KMT2ASLC6A5
SCHEMBL3230781 0.84 SLC6A9 (0.59) SLC6A9SLC6A5
SCHEMBL13780494 0.84 SLC6A9 (0.59) SLC6A9SLC6A5
SCHEMBL3237485 0.84 SLC6A9 (0.48) SLC6A9ALDH1A1MAPK1
SCHEMBL3243558 0.84 ROCK2 (0.44) SLC6A9ALDH1A1HPGDKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 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-20080287547-A1 Glycine Transport Inhibitors SLC18A2, SLC6A5, SLC1A2 SLC6A9 13/4885ALDH1A1 1356/4885HPGD 682/4885

“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.