SCHEMBL24549563

SCHEMBL24549563

CCCCCCN1CCC(N)C(F)(F)C1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 8/20 0.56
GNAI3 P08754 7/20 0.56
GNAI1 P63096 7/20 0.56
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40
SPHK1 Q9NYA1 1/20 0.39
KCNH2 Q12809 1/20 0.39
BCHE P06276 1/20 0.39
EBP Q15125 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
GUSB P08236 1/20 0.38

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
SCHEMBL5852136 0.73 GNAO1 (0.96) GNAO1GNAI3GNAI1SPHK1KCNH2
SCHEMBL4249763 0.73 GNAO1 (0.96) GNAO1GNAI3GNAI1SPHK1KCNH2
SCHEMBL21035309 0.73
SCHEMBL19779489 0.73 GNAO1 (0.96) GNAO1GNAI3GNAI1SPHK1KCNH2
SCHEMBL23866553 0.71 PIK3CD (0.35)
SCHEMBL21024538 0.71 GNAO1 (0.71) GNAO1GNAI3GNAI1SPHK1KCNH2
SCHEMBL595977 0.71 GNAO1 (0.92) GNAO1GNAI3GNAI1SPHK1KCNH2
SCHEMBL19275197 0.71 GNAO1 (0.71) GNAO1GNAI3GNAI1SPHK1KCNH2
SCHEMBL25963757 0.71 GNAO1 (0.71) GNAO1GNAI3GNAI1SPHK1KCNH2
SCHEMBL11204905 0.71 GNAO1 (0.51) GNAO1GNAI3GNAI1S1PR4S1PR1

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 GNAO1 3151/4885GNAI3 1504/4885GNAI1 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.