SCHEMBL24429367

SCHEMBL24429367

CCCCCCC(C)(C)N1CCC[C@H](N)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 4/20 0.39
GNAI3 P08754 3/20 0.39
GNAI1 P63096 3/20 0.39
BCHE P06276 7/20 0.35
SPHK1 Q9NYA1 1/20 0.33
LSS P48449 2/20 0.32
CNR1 P21554 1/20 0.31
DPP4 P27487 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 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
SCHEMBL24429416 1.00 GNAO1 (0.39) GNAO1GNAI3GNAI1BCHESPHK1
SCHEMBL26604172 0.98 GNAI3 (0.37) GNAO1GNAI3GNAI1BCHESPHK1
SCHEMBL19176677 0.90 GNAO1 (0.45) GNAO1GNAI3GNAI1BCHESPHK1
SCHEMBL19252722 0.90 GNAO1 (0.45) GNAO1GNAI3GNAI1BCHESPHK1
SCHEMBL19176725 0.90 GNAO1 (0.45) GNAO1GNAI3GNAI1BCHESPHK1
SCHEMBL26610208 0.88 GNAO1 (0.39) GNAO1GNAI3GNAI1BCHESPHK1
SCHEMBL18399592 0.88 GNAO1 (0.39) GNAO1GNAI3GNAI1BCHESPHK1
SCHEMBL21158407 0.87
SCHEMBL22648455 0.87
SCHEMBL22855747 0.86 GNAO1 (0.38) GNAO1GNAI3GNAI1BCHESPHK1

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 GNAO1 3070/4885GNAI3 1955/4885GNAI1 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.