SCHEMBL22969010

SCHEMBL22969010

CN1C(=O)C(N(C)C(=O)OC(C)(C)C)CCc2cc(F)cc(F)c21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 2/20 0.40
▸ SCN9A Q15858 5/20 0.38
▸ GPR119 Q8TDV5 2/20 0.34
▸ DDB1 Q16531 2/20 0.33
▸ CRBN Q96SW2 2/20 0.33
▸ HTR2A P28223 3/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.31
▸ KAT6A Q92794 1/20 0.30
▸ KAT8 Q9H7Z6 1/20 0.30

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
SCHEMBL28718508 0.77 RIPK1 (0.53) RIPK1SCN9A
SCHEMBL22969007 0.77 DDB1 (0.41) RIPK1SCN9ADDB1CRBNHTR2A
SCHEMBL19961242 0.75 PSEN1 (0.39) SCN9AHTR2AHTR2CSLC6A4
SCHEMBL19960758 0.74 NR1I2 (0.42) RIPK1DDB1CRBNHTR2AHTR2C
SCHEMBL22968986 0.70 RIPK1 (0.44) RIPK1HTR2AHTR2CSMN1; SMN2
SCHEMBL19961238 0.70 NR1I2 (0.36) RIPK1DDB1CRBNHTR2AHTR2C
SCHEMBL22969000 0.69 SCN9A (0.33) RIPK1SCN9AGPR119
Hydrochloric Acid SCHEMBL28709027 0.69 RIPK1 (0.43) RIPK1HTR2AHTR2CSMN1; SMN2
SCHEMBL4200172 0.67 DRD2 (0.40) —
SCHEMBL22969011 0.67 KDM4D (0.36) RIPK1HTR2AHTR2CSLC6A4

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-20210040115-A1 FUSED RING HETEROARYL COMPOUNDS AS RIPK1 INHIBITORS BISICHEM CO., LTD. (KR) 2021-02-11 — — 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-20210040115-A1 FUSED RING HETEROARYL COMPOUNDS AS RIPK1 INHIBITORS RIPK1, RIPK3, RIPK4 RIPK1 1/4885SCN9A 3101/4885GPR119 2665/4885

“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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