SCHEMBL17815780

SCHEMBL17815780

COc1nc(C)ccc1OC(C)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.36
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TP53 P04637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CRHR1 P34998 2/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
SLC6A9 P48067 4/20 0.32
S1PR1 P21453 1/20 0.32
P2RX3 P56373 1/20 0.32
CNR2 P34972 2/20 0.31
MKNK2 Q9HBH9 1/20 0.31

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
SCHEMBL17815704 0.86 NPC1 (0.32) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL11963900 0.81 GRM5 (0.38) RORCNPC1RAB9ASMN1; SMN2TP53
SCHEMBL20820237 0.80 RORC (0.34) RORCTP53CRHR1SLC6A9S1PR1
SCHEMBL13019367 0.80 SMN1; SMN2 (0.36) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL18726995 0.78 RAB9A (0.35) RORCNPC1RAB9ASMN1; SMN2TP53
SCHEMBL16371791 0.78 KDM4E (0.48) RORCKDM4EMAPTSLC6A9CNR2
SCHEMBL10304986 0.74 RAB9A (0.45) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL17815702 0.72 MEN1 (0.32) RORCNPC1RAB9ASMN1; SMN2TP53
SCHEMBL17815727 0.71 APOBEC3A (0.35) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL17815785 0.71 MAPK1 (0.41) NPC1RAB9ASMN1; SMN2TP53KDM4E

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 RORC 4087/4885NPC1 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.