SCHEMBL17815734

SCHEMBL17815734

Cc1ccc(OCCOC(F)(F)F)c(C)n1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 14/20 0.55
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE2A O00408 1/20 0.35
PDE10A Q9Y233 1/20 0.35
AURKA O14965 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
P2RX7 Q99572 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL17815784 0.84 S1PR4 (0.46) S1PR4NPC1LMNAMAPTHPGD
SCHEMBL17815735 0.83 NPC1 (0.40) S1PR4NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL17811776 0.81 S1PR4 (0.38) S1PR4
SCHEMBL17815744 0.81 S1PR4 (0.39) S1PR4NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL16371987 0.79 KDM4E (0.55) S1PR4RAB9ALMNAMAPTMEN1
SCHEMBL2135911 0.77 S1PR4 (0.47) S1PR4MAPTMEN1ALDH1A1KMT2A
SCHEMBL16372480 0.77 KDM4E (0.42) S1PR4MAPTHPGDMEN1ALDH1A1
SCHEMBL13947096 0.77 S1PR4 (0.58) S1PR4NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL23600775 0.75 S1PR4 (0.57) S1PR4NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2127198 0.75 S1PR4 (0.57) S1PR4NPC1RAB9ASMN1; SMN2LMNA

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-20160159815-A1 Fused Piperidine Amides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED 2016-06-09 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-20160159815-A1 Fused Piperidine Amides as Modulators of Ion Channels TRPV1, TRPA1, KCNJ2 S1PR4 945/4885NPC1 1085/4885RAB9A 1177/4885

“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.