SCHEMBL3240099

SCHEMBL3240099

CN(C)C1(C(NC(=O)c2cc(C(F)(F)F)ccc2Cl)c2ccccc2)CCCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.46
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
KLRK1 P26718 4/20 0.42
MICA Q29983 4/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
SLC6A9 P48067 3/20 0.41
RAET1L Q5VY80 3/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ANO1 Q5XXA6 1/20 0.39

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
SCHEMBL3239348 0.89 KLRK1 (0.41) KLRK1MICASLC6A9RAET1L
SCHEMBL3237631 0.87 SLC6A9 (0.48) KLRK1MICASLC6A9RAET1L
SCHEMBL3237602 0.86 GPR139 (0.50) SLC6A9MEN1KMT2AALDH1A1
SCHEMBL3239594 0.86 KCNQ3 (0.44) KLRK1MICASLC6A9RAET1LALDH1A1
SCHEMBL3245066 0.82 P2RX7 (0.43) TYK2SLC6A9MEN1KMT2AALDH1A1
SCHEMBL1348675 0.82 SLC6A9 (0.51) KLRK1MICASLC6A9RAET1LMEN1
SCHEMBL3041062 0.81 FLT1 (0.41) KLRK1MICASLC6A9RAET1L
SCHEMBL3231206 0.80 SLC6A9 (0.62) SLC6A9
SCHEMBL3244199 0.80 MEN1 (0.49) SLC6A9MEN1MAPTKMT2AALDH1A1
SCHEMBL4359374 0.80 SLC6A9 (0.41) SLC6A9MEN1MAPTKMT2A

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 CRHR1 2329/4885ITGB1 4772/4885ITGA4 4778/4885

“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.