SCHEMBL24993318

SCHEMBL24993318

O=C(N1CCCC1c1cc(F)cnc1O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 3/20 0.47
▸ GRM5 P41594 6/20 0.38
▸ NTRK1 P04629 8/20 0.37
▸ PRCP P42785 1/20 0.36
▸ JAK2 O60674 6/20 0.36
▸ OPRK1 P41145 1/20 0.35

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
SCHEMBL23516376 0.86 RIPK1 (0.39) RIPK1GRM5PRCP
SCHEMBL23501030 0.83 NTRK1 (0.49) RIPK1NTRK1JAK2
SCHEMBL23501031 0.83 NTRK1 (0.49) RIPK1NTRK1JAK2
SCHEMBL23500994 0.80 RIPK1 (0.43) RIPK1GRM5NTRK1PRCPJAK2
SCHEMBL23501013 0.80 RIPK1 (0.41) RIPK1GRM5NTRK1PRCPJAK2
SCHEMBL23501016 0.80 RIPK1 (0.41) RIPK1GRM5NTRK1PRCPJAK2
SCHEMBL29747012 0.80 RIPK1 (0.49) RIPK1NTRK1
SCHEMBL21513601 0.80 RIPK1 (0.49) RIPK1NTRK1
SCHEMBL23501106 0.79 RIPK1 (0.43) RIPK1GRM5NTRK1PRCPJAK2
SCHEMBL28579398 0.75 RIPK1 (0.39) RIPK1GRM5NTRK1PRCPJAK2

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-20230044722-A1 FLUORINE-CONTAINING HETEROCYCLIC DERIVATIVES WITH MACROCYCLIC STRUCTURE AND USE THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD. (CN) 2023-02-09 — — 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-20230044722-A1 FLUORINE-CONTAINING HETEROCYCLIC DERIVATIVES WITH MACROCYCLIC STRUCTURE AND USE THEREOF FRK, BRAF, ERBB3 RIPK1 588/4885GRM5 1771/4885NTRK1 4/4885

“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.

Send feedback