SCHEMBL25816557

SCHEMBL25816557

N#Cc1cncc([C@@H]2CCON2C(=O)C2CCNCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 6/20 0.48
KDM1A O60341 1/20 0.40
CHRNB4 P30926 7/20 0.38
CHRNA3 P32297 7/20 0.38
CHRNB2 P17787 7/20 0.38
CHRNA4 P43681 7/20 0.38
CHRNA1 P02708 3/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRND Q07001 1/20 0.38
CHRNA2 Q15822 1/20 0.38
HRH3 Q9Y5N1 2/20 0.36
DGAT2 Q96PD7 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 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
SCHEMBL25818710 0.96 RIPK1 (0.46) RIPK1KDM1ACHRNB4CHRNA3CHRNB2
Trifluoroacetic Acid SCHEMBL25251798 0.93 RIPK1 (0.46) RIPK1KDM1ACHRNB4CHRNA3CHRNB2
Trifluoroacetic Acid SCHEMBL30339096 0.93 RIPK1 (0.46) RIPK1KDM1ACHRNB4CHRNA3CHRNB2
Trifluoroacetic Acid SCHEMBL29048342 0.93 RIPK1 (0.46) RIPK1KDM1ACHRNB4CHRNA3CHRNB2
SCHEMBL31196305 0.89 RIPK1 (0.46) RIPK1KDM1ACHRNB4CHRNA3CHRNB2
SCHEMBL31200215 0.89 RIPK1 (0.46) RIPK1KDM1ACHRNB4CHRNA3CHRNB2
SCHEMBL31196395 0.89 RIPK1 (0.46) RIPK1KDM1ACHRNB4CHRNA3CHRNB2
SCHEMBL29048260 0.87 RIPK1 (0.50) RIPK1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL29048261 0.87 RIPK1 (0.50) RIPK1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL18921452 0.85 RIPK1 (0.43) RIPK1CHRNB4CHRNA3CHRNB2CHRNA4

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-20230219937-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF SANOFI (FR) 2023-07-13 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-20230219937-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF RIPK1, RIPK4, RIPK2 RIPK1 1/4885KDM1A 798/4885CHRNB4 4475/4885

“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.