SCHEMBL17815700

SCHEMBL17815700

COc1nc(C)ccc1OCC1CC=CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 2/20 0.34
LMNA P02545 1/20 0.34
PDE4B Q07343 3/20 0.33
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL17815699 0.84 MCHR1 (0.43) CHRNB4CHRNA3PDE4B
SCHEMBL17815743 0.81 IDH1 (0.36) CHRNB4CHRNA3APOBEC3AAPOBEC3GNPC1
SCHEMBL17815736 0.79 SCN9A (0.33) CHRNB4CHRNA3APOBEC3AAPOBEC3GNPC1
SCHEMBL11396539 0.78 ALDH1A1 (0.53) CHRNB4CHRNA3APOBEC3AAPOBEC3GNPC1
SCHEMBL17815701 0.78 PDE4B (0.38) APOBEC3AAPOBEC3GNPC1RAB9ASMN1; SMN2
SCHEMBL17815782 0.76 IDH1 (0.34) CHRNB4CHRNA3APOBEC3AAPOBEC3GNPC1
SCHEMBL17815786 0.76 LRRK2 (0.39) CHRNB4CHRNA3FFAR4
SCHEMBL20116553 0.76 KDM4E (0.51) APOBEC3AAPOBEC3GNPC1RAB9ASMN1; SMN2
SCHEMBL27849575 0.73 NPC1 (0.41) APOBEC3AAPOBEC3GNPC1RAB9ASMN1; SMN2
SCHEMBL10304986 0.73 RAB9A (0.45) APOBEC3AAPOBEC3GNPC1RAB9ASMN1; SMN2

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 CHRNB4 321/4885CHRNA3 211/4885APOBEC3A 4225/4885

“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.