SCHEMBL19500994

SCHEMBL19500994

CCC(C)(C)C(=O)N1CC[C@H](C)[C@H]1c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 13/20 0.71
▸ PRMT5 O14744 2/20 0.41
▸ WDR77 Q9BQA1 2/20 0.41
▸ FKBP1A P62942 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ POLB P06746 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
SCHEMBL17881881 0.86 RIPK1 (0.71) RIPK1FKBP1AMEN1TSHRHTT
SCHEMBL17881878 0.86 RIPK1 (0.71) RIPK1FKBP1AMEN1TSHRHTT
SCHEMBL17881984 0.83 RIPK1 (1.00) RIPK1
SCHEMBL17881976 0.83 RIPK1 (1.00) RIPK1
SCHEMBL19512619 0.79 RIPK1 (0.60) RIPK1FKBP1A
SCHEMBL14068810 0.78 GPR119 (0.48) RIPK1PRMT5WDR77
SCHEMBL17881895 0.78 RIPK1 (0.84) RIPK1FKBP1A
SCHEMBL17881874 0.78 RIPK1 (0.65) RIPK1
SCHEMBL17881908 0.78 RIPK1 (0.65) RIPK1
SCHEMBL17881868 0.78 RIPK1 (0.65) RIPK1

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-20170304237-A1 Necrosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2017-10-26 — — 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-20170304237-A1 Necrosis Inhibitors RIPK3, RIPK1, RIPK4 RIPK1 2/4885PRMT5 2806/4885WDR77 2780/4885

“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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