SCHEMBL3055700

SCHEMBL3055700

NC1CC(C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccn2)C1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 7/20 0.59
HPGD P15428 1/20 0.47
KMT2A Q03164 3/20 0.46
CES1 P23141 1/20 0.44
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.43
GPR27 Q9NS67 1/20 0.43
ALDH1A1 P00352 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL3059626 0.90 SLC6A9 (0.60) SLC6A9HPGDKMT2ACES1RAB9A
SCHEMBL3059786 0.81 SLC6A9 (0.63) SLC6A9HPGDKMT2AMEN1GPR27
SCHEMBL3042565 0.80 SLC6A9 (0.58) SLC6A9HPGDKMT2AMEN1GPR27
SCHEMBL2854460 0.78 SLC6A9 (0.60) SLC6A9HPGDKMT2AMEN1
SCHEMBL7795359 0.74 SLC6A9 (1.00) SLC6A9
SCHEMBL4645715 0.72 SLC6A9 (0.47) SLC6A9HPGDKMT2ACES1RAB9A
SCHEMBL3043124 0.71 KDM4E (0.48) SLC6A9HPGDRAB9ANPC1ALDH1A1
SCHEMBL4643554 0.71 KDM4E (0.48) SLC6A9HPGDRAB9ANPC1ALDH1A1
SCHEMBL4644071 0.71 KDM4E (0.48) SLC6A9HPGDRAB9ANPC1ALDH1A1
SCHEMBL4646402 0.70 SLC6A9 (0.47) SLC6A9HPGDKMT2ACES1RAB9A

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-20100222317-A1 Azetidine Derivatives as GlyT1 Inhibitors MERCK SHARP & DOHME LIMITED (GB) 2010-09-02 US disclosed
EP-1960360-A1 AZETIDINE DERIVATIVES AS GLYT1 INHIBITORS MERCK SHARP & DOHME LTD. (GB) 2008-08-27 EP disclosed
WO-2007060484-A1 AZETIDINE DERIVATIVES AS GLYT1 INHIBITORS MERCK SHARP & DOHME LIMITED (GB) 2007-05-31 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-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.