SCHEMBL24429464

SCHEMBL24429464

CCCC(C)(C)CNC1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 6/20 0.49
GNAO1 P09471 6/20 0.49
GNAI1 P63096 6/20 0.49
KCNH2 Q12809 1/20 0.42
EPHX1 P07099 2/20 0.35
SOS1 Q07889 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
EP300 Q09472 1/20 0.33

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
SCHEMBL22648607 0.86 GNAI3 (0.46) GNAI3GNAO1GNAI1KCNH2EPHX1
SCHEMBL21791674 0.84 KDM4E (0.38) GNAI3GNAO1GNAI1EPHX1
SCHEMBL18922338 0.83 GNAI3 (0.56) GNAI3GNAO1GNAI1KCNH2EPHX1
SCHEMBL13369708 0.79 GNAI3 (0.46) GNAI3GNAO1GNAI1KCNH2EPHX1
SCHEMBL24975560 0.79 OPRL1 (0.35)
SCHEMBL28514340 0.79 GNAO1 (0.55) GNAI3GNAO1GNAI1KCNH2EPHX1
SCHEMBL19826326 0.78 GNAI3 (0.46) GNAI3GNAO1GNAI1KCNH2EPHX1
SCHEMBL18922344 0.73 GNAI3 (0.53) GNAI3GNAO1GNAI1KCNH2EPHX1
SCHEMBL1197783 0.73 GNAI3 (0.68) GNAI3GNAO1GNAI1KCNH2EPHX1
SCHEMBL1198152 0.72

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-20220153734-A1 Pyrazolopyridine Compounds For IRE1 Inhibition Optikira, LLC 2022-05-19 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-20220153734-A1 Pyrazolopyridine Compounds For IRE1 Inhibition XBP1, ERN1, ERN2 GNAI3 1955/4885GNAO1 3070/4885GNAI1 1915/4885

“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.