SCHEMBL17815747

SCHEMBL17815747

COc1nc(C)ccc1OC1CC2C(C1)C2(F)F

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 5/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
NPC1 O15118 2/20 0.31
TP53 P04637 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
APOBEC3A P31941 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30

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
SCHEMBL17815730 0.82 VEGFA (0.34) GPR6MEN1KMT2ANPC1TP53
SCHEMBL17815736 0.81 SCN9A (0.33) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL23207662 0.80 GPR6 (0.38) GPR6NPC1TP53RAB9ASMN1; SMN2
SCHEMBL17815701 0.77 PDE4B (0.38) GPR6NPC1TP53RAB9ASMN1; SMN2
SCHEMBL10304986 0.70 RAB9A (0.45) KMT2ANPC1TP53RAB9ASMN1; SMN2
SCHEMBL24042971 0.69 PDE4A (0.34) GPR6MEN1KMT2ASMN1; SMN2
SCHEMBL24042861 0.69 PDE4B (0.46) GPR6MEN1KMT2A
SCHEMBL17815743 0.69 IDH1 (0.36) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL13019367 0.68 SMN1; SMN2 (0.36) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL17815702 0.68 MEN1 (0.32) MEN1KMT2ANPC1TP53RAB9A

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 GPR6 690/4885MEN1 4450/4885KMT2A 1347/4885

“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.