SCHEMBL24429447

SCHEMBL24429447

CCCCCC(C)(CCCC)C1CCC(N)CC1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.38
GNAO1 P09471 2/20 0.38
GNAI1 P63096 2/20 0.38
SPHK1 Q9NYA1 2/20 0.36

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
SCHEMBL20833075 0.96 GNAI3 (0.42) GNAI3GNAO1GNAI1SPHK1
SCHEMBL23745297 0.96 GNAI3 (0.42) GNAI3GNAO1GNAI1SPHK1
SCHEMBL26516196 0.85 GNAI3 (0.36) GNAI3GNAO1GNAI1SPHK1
SCHEMBL26513247 0.85 GNAI3 (0.36) GNAI3GNAO1GNAI1SPHK1
SCHEMBL23745633 0.80 GNAI3 (0.36) GNAI3GNAO1GNAI1SPHK1
SCHEMBL14863742 0.79 CYP1A2 (0.33)
SCHEMBL22224480 0.78 GNAO1 (0.42) GNAI3GNAO1GNAI1
SCHEMBL11680394 0.78 CYP1A2 (0.43)
SCHEMBL23745437 0.78 SMPD1 (0.34) GNAO1
SCHEMBL22747674 0.77 CES2 (0.32)

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.