SCHEMBL17815701

SCHEMBL17815701

COc1nc(C)ccc1OC1CC=CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.38
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
KDM4E B2RXH2 2/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
GPR6 P46095 5/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
PDE4A P27815 3/20 0.31
PDE4C Q08493 3/20 0.31
PDE4D Q08499 3/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL23207662 0.86 GPR6 (0.38) PDE4BNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL20820255 0.81 PDE4B (0.34) PDE4BPDE4APDE4CPDE4D
SCHEMBL17815730 0.80 VEGFA (0.34) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL17815700 0.78 CHRNB4 (0.35) PDE4BNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL17815747 0.77 GPR6 (0.32) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL10304986 0.76 RAB9A (0.45) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL24042971 0.71 PDE4A (0.34) PDE4BSMN1; SMN2GPR6PDE4APDE4C
SCHEMBL24042861 0.71 PDE4B (0.46) PDE4BGPR6PDE4APDE4CPDE4D
SCHEMBL13019367 0.70 SMN1; SMN2 (0.36) PDE4BNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL23207657 0.70 HSD17B10 (0.39) NPC1RAB9ASMN1; SMN2KDM4EMAPT

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 PDE4B 766/4885NPC1 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.