SCHEMBL17815702

SCHEMBL17815702

COc1nc(C)ccc1OC(C)C1CC(F)(F)C1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
APLNR P35414 2/20 0.31
LPAR1 Q92633 1/20 0.31
RORC P51449 1/20 0.31
MAOA P21397 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL20820252 0.85 MAOA (0.30) MAOA
SCHEMBL11963900 0.78 GRM5 (0.38) MEN1KMT2ARORCKDM4ENPC1
SCHEMBL17815730 0.78 VEGFA (0.34) MEN1KMT2ALPAR1MAOAKDM4E
SCHEMBL24993507 0.76 KDM4E (0.34) MEN1KMT2AKDM4EALDH1A1TP53
SCHEMBL24993503 0.76 KDM4E (0.34) MEN1KMT2AKDM4EALDH1A1TP53
SCHEMBL24993499 0.76 KDM4E (0.34) MEN1KMT2AKDM4EALDH1A1TP53
SCHEMBL17815743 0.76 IDH1 (0.36) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL13019367 0.74 SMN1; SMN2 (0.36) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL17815781 0.73 NPC1 (0.34) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL18726995 0.72 RAB9A (0.35) KMT2ALPAR1RORCKDM4ENPC1

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 MEN1 4450/4885KMT2A 1347/4885APLNR 334/4885

“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.