SCHEMBL24549445

SCHEMBL24549445

CCCCCCCC(C)(C)N[C@H]1CCCNC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 5/20 0.38
GNAO1 P09471 5/20 0.38
GNAI1 P63096 5/20 0.38
KCNH2 Q12809 1/20 0.36
CCR2 P41597 3/20 0.35
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CXCR4 P61073 1/20 0.35
EPHX1 P07099 4/20 0.33
PRCP P42785 1/20 0.33
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL24549349 1.00 GNAI3 (0.38) GNAI3GNAO1GNAI1KCNH2CCR2
SCHEMBL21214485 0.88 GNAO1 (0.38) GNAI3GNAO1GNAI1KCNH2CCR2
SCHEMBL24429492 0.88 GNAO1 (0.38) GNAI3GNAO1GNAI1KCNH2CCR2
SCHEMBL19226599 0.87 KCNH2 (0.40) KCNH2CCR2KDM1AMAOB
SCHEMBL19226618 0.87 KCNH2 (0.40) KCNH2CCR2KDM1AMAOB
SCHEMBL19226652 0.85 GNAO1 (0.36) GNAI3GNAO1GNAI1KCNH2CCR2
SCHEMBL22648554 0.85 GNAO1 (0.36) GNAI3GNAO1GNAI1KCNH2CCR2
SCHEMBL21214461 0.83 KCNH2 (0.48) GNAI3GNAO1GNAI1KCNH2EPHX1
SCHEMBL24549450 0.83 KCNH2 (0.35) GNAI3GNAO1GNAI1KCNH2CCR2
SCHEMBL22648450 0.83 KCNH2 (0.35) GNAI3GNAO1GNAI1KCNH2CCR2

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-20220194945-A1 Imidazolopyridine Compounds For IRE1 Inhibition Optikira, LLC 2022-06-23 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-20220194945-A1 Imidazolopyridine Compounds For IRE1 Inhibition XBP1, ERN2, ERN1 GNAI3 1504/4885GNAO1 3151/4885GNAI1 1537/4885

“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.