SCHEMBL3059622

SCHEMBL3059622

O=C(NCC1(c2ccccn2)CC(O)C1)c1ccc(Cl)cc1Cl

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 15/20 0.66
HPGD P15428 1/20 0.56
KMT2A Q03164 1/20 0.54
P2RX7 Q99572 2/20 0.53
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL3055697 0.91 SLC6A9 (0.65) SLC6A9HPGDKMT2AP2RX7NPC1
SCHEMBL8279714 0.84 SLC6A9 (0.70) SLC6A9HPGDKMT2ANPC1LMNA
SCHEMBL13037353 0.83 SLC6A9 (0.64) SLC6A9HPGDKMT2AP2RX7NPC1
SCHEMBL8240377 0.82 SLC6A9 (0.68) SLC6A9
SCHEMBL8244583 0.82 SLC6A9 (0.68) SLC6A9
SCHEMBL3042562 0.82 SLC6A9 (0.68) SLC6A9
SCHEMBL3059780 0.82 SLC6A9 (0.68) SLC6A9
SCHEMBL3561480 0.80 SLC6A9 (1.00) SLC6A9
SCHEMBL3560048 0.79 SLC6A9 (1.00) SLC6A9
SCHEMBL3558597 0.79 SLC6A9 (1.00) SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222317-A1 Azetidine Derivatives as GlyT1 Inhibitors MERCK SHARP & DOHME LIMITED (GB) 2010-09-02 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-20100222317-A1 Azetidine Derivatives as GlyT1 Inhibitors GRIA1, GLRA1, GRIN1 SLC6A9 18/4885HPGD 2932/4885KMT2A 1755/4885

“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.