SCHEMBL22648607

SCHEMBL22648607

CCC(C)(C)CNC1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 4/20 0.46
GNAO1 P09471 4/20 0.46
GNAI1 P63096 4/20 0.46
KCNH2 Q12809 1/20 0.44
SOS1 Q07889 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
EPHX1 P07099 2/20 0.33
EP300 Q09472 1/20 0.33
POLB P06746 1/20 0.31
RAD52 P43351 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
SCHEMBL24429464 0.86 GNAI3 (0.49) GNAI3GNAO1GNAI1KCNH2SOS1
SCHEMBL19826326 0.84 GNAI3 (0.46) GNAI3GNAO1GNAI1KCNH2SOS1
SCHEMBL18922344 0.82 GNAI3 (0.53) GNAI3GNAO1GNAI1KCNH2SOS1
SCHEMBL13369708 0.81 GNAI3 (0.46) GNAI3GNAO1GNAI1KCNH2SOS1
SCHEMBL20803857 0.81 KDM4E (0.40) DPP7EPHX1POLB
SCHEMBL21164693 0.79 KDM4E (0.43) DPP7EPHX1POLB
SCHEMBL11054211 0.79 KDM4E (0.43) DPP7EPHX1POLB
SCHEMBL22648484 0.78 KCNH2 (0.47) KCNH2
SCHEMBL23139675 0.78 KCNH2 (0.32) KCNH2
SCHEMBL28514340 0.77 GNAO1 (0.55) GNAI3GNAO1GNAI1KCNH2EPHX1

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 GNAI3 2035/4885GNAO1 2878/4885GNAI1 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.