SCHEMBL25586433

SCHEMBL25586433

CN1C(=O)CCOc2ccc(C#CC3CCOCC3)cc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 5/20 0.43
▸ CHRNA1 P02708 1/20 0.38
▸ CHRNG P07510 1/20 0.38
▸ CHRNB1 P11230 1/20 0.38
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ CHRND Q07001 1/20 0.38
▸ OGA O60502 1/20 0.37
▸ ALDH2 P05091 1/20 0.37
▸ GRM5 P41594 1/20 0.36
▸ MAP3K14 Q99558 7/20 0.35
▸ HAO1 Q9UJM8 2/20 0.35
▸ CHRM5 P08912 1/20 0.35
▸ BACE1 P56817 1/20 0.34

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
SCHEMBL25584888 0.89 RIPK1 (0.40) RIPK1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL25586435 0.82 RIPK1 (0.49) RIPK1
SCHEMBL23085749 0.78 MAP3K14 (0.37) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL23081626 0.78 MAP3K14 (0.46) RIPK1MAP3K14
SCHEMBL23085558 0.77 GABRA1 (0.41) RIPK1GRM5MAP3K14
SCHEMBL23085713 0.77 RIPK1 (0.48) RIPK1MAP3K14
SCHEMBL22590518 0.77 RIPK1 (0.47) RIPK1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL25586411 0.77 GRM5 (0.40) RIPK1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL23085485 0.77 RIPK1 (0.46) RIPK1MAP3K14
SCHEMBL23085583 0.77 RIPK1 (0.46) RIPK1MAP3K14

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-20230167129-A1 HETEROCYCLIC AMIDE FOR INHIBITING RIP1 KINASE AND USES THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-06-01 — — 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-20230167129-A1 HETEROCYCLIC AMIDE FOR INHIBITING RIP1 KINASE AND USES THEREOF RIPK1, RIPK3, RIPK4 RIPK1 1/4885CHRNA1 2817/4885CHRNG 4442/4885

“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.

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