SCHEMBL3910586

SCHEMBL3910586

CN(C)C(C)(C)C(NC(=O)c1cc(C(F)(F)F)ccc1Cl)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.46
ITGB1 P05556 1/20 0.45
ITGA4 P13612 1/20 0.45
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
KLRK1 P26718 4/20 0.44
MICA Q29983 4/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
RAET1L Q5VY80 3/20 0.43
KCNQ3 O43525 2/20 0.42
KCNQ2 O43526 2/20 0.42
TRPV1 Q8NER1 1/20 0.41
ABCB1 P08183 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL3902026 0.88 CES2 (0.45) KLRK1MICARAET1LKCNQ3KCNQ2
SCHEMBL3905828 0.88 KLRK1 (0.44) KLRK1MICARAET1LKCNQ3KCNQ2
SCHEMBL3914060 0.85 CES2 (0.45) KLRK1MICARAET1LKCNQ3KCNQ2
SCHEMBL3902148 0.85 LMNA (0.44) ITGB1ITGA4MEN1MAPTKMT2A
SCHEMBL3901053 0.83 GPR139 (0.49) ITGB1ITGA4MEN1MAPTKMT2A
SCHEMBL3902992 0.82 TYK2 (0.45) TYK2MEN1MAPTKMT2AALDH1A1
SCHEMBL3905178 0.82 POLB (0.42) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL3243981 0.81 CRHR1 (0.46) CRHR1ITGB1ITGA4JAK2JAK1
SCHEMBL3903988 0.80 CTSL (0.44) MEN1KMT2ALMNAGAA
SCHEMBL3905283 0.79 MEN1 (0.49) MEN1MAPTKMT2AALDH1A1POLB

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
EP-1838663-B1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LTD (GB) 2009-01-21 EP claimed
US-20090270510-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
US-20090270510-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
US-20090270510-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
EP-1838663-B1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LTD (GB) 2009-01-21 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-20090270510-A1 GLYCINE TRANSPORT INHIBITORS SLC18A2, SLC6A5, SLC1A2 CRHR1 2257/4885ITGB1 4719/4885ITGA4 4739/4885

“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.