SCHEMBL6719625

SCHEMBL6719625

Cc1ccccc1N(C(=O)C1CCCCC1)N(C(N)=S)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.39
LMNA P02545 1/20 0.39
ITK Q08881 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
P2RX7 Q99572 2/20 0.35
KCNH2 Q12809 1/20 0.34
HSD11B1 P28845 1/20 0.33
TSHR P16473 1/20 0.33
CACNA1G O43497 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL6726655 0.88 IDH1 (0.38) OPRM1LMNAITKTSHRNR1H4
SCHEMBL6722821 0.87 NPC1 (0.41) OPRM1LMNAITKNPC1RAB9A
SCHEMBL6718318 0.86 OPRM1 (0.41) OPRM1LMNANPC1RAB9AP2RX7
SCHEMBL6722876 0.85 ALDH1A1 (0.39) OPRM1LMNAITKNPC1RAB9A
SCHEMBL6714072 0.85 NR1H4 (0.41) OPRM1LMNAITKNPC1P2RX7
SCHEMBL6714288 0.79 HPGD (0.39) ITKNPC1RAB9ATSHRNR1H4
SCHEMBL6718458 0.79 ALDH1A1 (0.42) OPRM1NPC1RAB9AMEN1KMT2A
SCHEMBL6719441 0.78 OPRM1 (0.38) OPRM1LMNANPC1RAB9AP2RX7
SCHEMBL6717391 0.77 LMNA (0.38) OPRM1LMNANPC1RAB9AMEN1
SCHEMBL6723392 0.76 SMN1; SMN2 (0.41) ITKNPC1RAB9ANR1H4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040152741-A1 Arylglycine derivatives and their use as glycine transport inhibitors NPS ALLELIX CORPORATION (CA) 2004-08-05 US disclosed
WO-2004022528-A2 ARYLGLYCINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 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-20040152741-A1 Arylglycine derivatives and their use as glycine transport inhibitors SLC1A2, SLC1A1, SLC7A11 OPRM1 719/4885LMNA 3809/4885ITK 4338/4885

“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.