SCHEMBL17815744

SCHEMBL17815744

CCOc1nc(C)ccc1OCCOC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 10/20 0.39
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
HSD17B10 Q99714 2/20 0.36
RECQL P46063 1/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRM5 P41594 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 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
SCHEMBL17815735 0.87 NPC1 (0.40) S1PR4NPC1RAB9AHSD17B10HPGD
SCHEMBL17811773 0.82 L3MBTL1 (0.32) TDP1
SCHEMBL17815734 0.81 S1PR4 (0.55) S1PR4NPC1RAB9AHPGDKDM4E
SCHEMBL16372341 0.80 POLB (0.40) KDM4EMAPTTSHRGAAMEN1
SCHEMBL17815784 0.79 S1PR4 (0.46) S1PR4NPC1HPGDMAPTLMNA
SCHEMBL19144812 0.74 KDM4E (0.51) NPC1RAB9AHSD17B10RECQLHPGD
SCHEMBL12037054 0.73 HSD17B10 (0.42) S1PR4NPC1RAB9AHSD17B10RECQL
SCHEMBL20820251 0.72 HDAC1 (0.33) S1PR4KDM4E
SCHEMBL17707980 0.71 NPC1 (0.41) S1PR4NPC1RAB9AHSD17B10RECQL
SCHEMBL20116553 0.71 KDM4E (0.51) NPC1RAB9AHSD17B10HPGDKDM4E

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.