SCHEMBL23170488

SCHEMBL23170488

C=C(CCCOc1cc(Br)ncn1)C(=O)N1CC(F)CC1c1cccc(F)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 11/20 0.34
ROCK2 O75116 1/20 0.34
TRPA1 O75762 1/20 0.33
MAOB P27338 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RIPK1 Q13546 2/20 0.31
GRIN2B Q13224 1/20 0.31
DPP4 P27487 1/20 0.31

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
SCHEMBL23170500 0.89 MAOA (0.33) SLC6A9TRPA1MAOBDPP4
SCHEMBL23161278 0.85 SLC6A9 (0.34) SLC6A9ROCK2TRPA1RIPK1GRIN2B
SCHEMBL23161259 0.85 TRPA1 (0.36) SLC6A9TRPA1MAOBGRIN2B
SCHEMBL23170489 0.83 SLC6A9 (0.40) SLC6A9GRIN2B
SCHEMBL23162432 0.83 FFAR1 (0.40) MAOB
SCHEMBL23161285 0.83 L3MBTL1 (0.44) SLC6A9ROCK2MAOBL3MBTL1RIPK1
SCHEMBL23170246 0.83 DPP4 (0.36) SLC6A9DPP4
SCHEMBL23170622 0.81 DPP4 (0.35) SLC6A9RIPK1GRIN2BDPP4
SCHEMBL23161314 0.81 RIPK1 (0.38) SLC6A9ROCK2L3MBTL1RIPK1DPP4
SCHEMBL23170530 0.79 GRM5 (0.39) MAOBGRIN2BDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753381-B2 Inhibitors of receptor interacting protein kinase I for the treatment of disease BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-09-12 US disclosed
US-20210094921-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2021-04-01 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 (2 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-11753381-B2 Inhibitors of receptor interacting protein kinase I for the treatment of disease RIPK1, RIPK2, RIPK4 SLC6A9 4764/4885ROCK2 640/4885TRPA1 3767/4885
US-20210094921-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE RIPK1, RIPK2, RIPK4 SLC6A9 4764/4885ROCK2 640/4885TRPA1 3767/4885

“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.