SCHEMBL24429438

SCHEMBL24429438

CC(C)(C)CN1CCCC(N)C1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
PTPN11 Q06124 3/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL12932769 0.88 GNAI3 (0.37) ALDH1A1
SCHEMBL15315424 0.88 GNAI3 (0.37) ALDH1A1
SCHEMBL18838953 0.85 KDM4E (0.33) PTPN11KDM4E
SCHEMBL25368717 0.85 KDM4E (0.33) PTPN11KDM4E
SCHEMBL12245493 0.80 ADORA2A (0.33)
SCHEMBL14737759 0.80 ADORA2A (0.33)
SCHEMBL25233513 0.79 LMNA (0.35) ALDH1A1PTPN11KDM4E
Hydrochloric Acid SCHEMBL14738192 0.78 ADORA2A (0.32)
Hydrochloric Acid SCHEMBL2378908 0.78 ADORA2A (0.32)
Hydrochloric Acid SCHEMBL14738190 0.78 ADORA2A (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3675858-B1 IMIDAZO[1,5-A]PYRAZINE COMPOUNDS AND COMPOSITIONS FOR IRE1 INHIBITION OPTIKIRA LLC (US) 2023-04-26 EP disclosed
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 ALDH1A1 2438/4885PTPN11 3106/4885KDM4E 1043/4885

“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.