SCHEMBL22648441

SCHEMBL22648441

CCCCC(C)(CCC)NC1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 12/20 0.46
GNAI3 P08754 11/20 0.46
GNAI1 P63096 11/20 0.46
EPHX1 P07099 2/20 0.40
KCNH2 Q12809 1/20 0.36
CYP1A2 P05177 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
SCHEMBL19226817 0.89 GNAO1 (0.54) GNAO1GNAI3GNAI1EPHX1KCNH2
SCHEMBL29321999 0.89 GNAO1 (0.54) GNAO1GNAI3GNAI1EPHX1KCNH2
SCHEMBL24429368 0.85 GNAI3 (0.41) GNAO1GNAI3GNAI1EPHX1KCNH2
SCHEMBL22648543 0.83 GNAO1 (0.51) GNAO1GNAI3GNAI1EPHX1KCNH2
SCHEMBL22001246 0.81 CYP1A2 (0.35) GNAO1GNAI3GNAI1EPHX1CYP1A2
SCHEMBL19966694 0.81 POLB (0.32) EPHX1CYP1A2
SCHEMBL21214476 0.79 GNAO1 (0.47) GNAO1GNAI3GNAI1EPHX1KCNH2
SCHEMBL19226670 0.79 GNAO1 (0.47) GNAO1GNAI3GNAI1EPHX1KCNH2
SCHEMBL21166221 0.77 CYP1A2 (0.42) EPHX1CYP1A2
SCHEMBL22752273 0.77 GNAO1 (0.39) GNAO1GNAI3GNAI1EPHX1CYP1A2

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.