SCHEMBL22648461

SCHEMBL22648461

CCCCCCCC(C)(CCCCCC)CN1CCN(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 11/20 0.43
GNAI3 P08754 10/20 0.43
GNAI1 P63096 10/20 0.43
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
PAOX Q6QHF9 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL25044308 1.00 GNAO1 (0.43) GNAO1GNAI3GNAI1NPC1TP53
SCHEMBL21120419 0.98 GNAO1 (0.42) GNAO1GNAI3GNAI1NPC1TP53
SCHEMBL24123133 0.98 GNAO1 (0.42) GNAO1GNAI3GNAI1NPC1TP53
SCHEMBL22648503 0.93 GNAO1 (0.41) GNAO1GNAI3GNAI1NPC1TP53
SCHEMBL22318014 0.93 GNAO1 (0.41) GNAO1GNAI3GNAI1NPC1TP53
SCHEMBL21653951 0.92 GNAO1 (0.38) GNAO1GNAI3GNAI1NPC1TP53
SCHEMBL18852718 0.85 GNAI3 (0.36) GNAO1GNAI3GNAI1NPC1TP53
SCHEMBL24335467 0.85 GNAO1 (0.40) GNAO1GNAI3GNAI1NPC1TP53
SCHEMBL25005825 0.85 LTA4H (0.38) GNAO1GNAI3GNAI1ALDH1A1L3MBTL1
SCHEMBL22624141 0.85 GNAO1 (0.35) GNAO1GNAI3GNAI1THRBALDH1A1

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-20200354367-A1 COMPOUNDS AND COMPOSITIONS FOR IRE1 INHIBITION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-11-12 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-20200354367-A1 COMPOUNDS AND COMPOSITIONS FOR IRE1 INHIBITION XBP1, RNASE1, ERN1 GNAO1 2878/4885GNAI3 2035/4885GNAI1 1804/4885

“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.