SCHEMBL25816590

SCHEMBL25816590

O=C(C1CCNCC1)N1OCC[C@H]1c1cncnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 6/20 0.45
HRH3 Q9Y5N1 2/20 0.40
SMYD3 Q9H7B4 1/20 0.33
KDM1A O60341 1/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNA3 P32297 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRNB3 Q05901 1/20 0.32
CHRNA6 Q15825 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
TSHR P16473 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 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
Trifluoroacetic Acid SCHEMBL30339113 0.92 RIPK1 (0.42) RIPK1HRH3KDM1ACHRNB2CHRNA3
SCHEMBL31205814 0.86 RIPK1 (0.50) RIPK1HRH3
SCHEMBL31205899 0.85 RIPK1 (0.40) RIPK1HRH3KDM1ACYP11B2MEN1
SCHEMBL25816557 0.83 RIPK1 (0.48) RIPK1HRH3KDM1ACHRNB2CHRNA3
SCHEMBL25188639 0.82 RIPK1 (0.43) RIPK1GABRPGABRDGABRA1TSHR
SCHEMBL25559419 0.82 RIPK1 (0.43) RIPK1GABRPGABRDGABRA1TSHR
SCHEMBL25691604 0.81 RIPK1 (0.58) RIPK1HRH3KDM1A
SCHEMBL25816765 0.81 RIPK1 (0.58) RIPK1HRH3KDM1A
Hydrochloric Acid SCHEMBL22608906 0.80 RIPK1 (0.57) RIPK1HRH3
Hydrochloric Acid SCHEMBL30338677 0.80 RIPK1 (0.57) RIPK1HRH3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116547281-A Isoxazolidines as RIPK1 inhibitors and uses thereof 赛诺菲 2023-08-04 CN disclosed
US-20230219937-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF SANOFI (FR) 2023-07-13 US disclosed
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 1/4885HRH3 985/4885SMYD3 3175/4885

“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.