SCHEMBL21513601

SCHEMBL21513601

O=C(N1CCC[C@@H]1c1cc(F)ccc1O)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 3/20 0.49
▸ TACR1 P25103 2/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ TERT O14746 1/20 0.39
▸ HSP90AA1 P07900 6/20 0.38
▸ HSP90AB1 P08238 6/20 0.38
▸ NTRK1 P04629 2/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ AGTR2 P50052 2/20 0.37

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
SCHEMBL29747012 1.00 RIPK1 (0.49) RIPK1TACR1OPRM1TERTHSP90AA1
SCHEMBL21494205 0.85 RIPK1 (0.43) RIPK1TACR1OPRM1HSP90AA1HSP90AB1
SCHEMBL21494206 0.85 RIPK1 (0.43) RIPK1TACR1OPRM1HSP90AA1HSP90AB1
SCHEMBL2598872 0.81 RIPK1 (0.46) RIPK1HSP90AA1HSP90AB1NTRK1
SCHEMBL15154729 0.81 RIPK1 (0.46) RIPK1HSP90AA1HSP90AB1NTRK1
SCHEMBL24993318 0.80 RIPK1 (0.47) RIPK1NTRK1
SCHEMBL28491094 0.78 SCN9A (0.38) TERTNTRK1ESR1ESR2
SCHEMBL21514000 0.74 RIPK1 (0.45) RIPK1TACR1NTRK1AGTR2
SCHEMBL24595420 0.74 RIPK1 (0.45) RIPK1TACR1NTRK1AGTR2
SCHEMBL2646291 0.74 RIPK1 (0.42) RIPK1HSP90AA1NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584759-B2 Macrocyclic kinase inhibitor HITGEN INC. (CN) 2023-02-21 — — US disclosed
EP-3783000-B1 MACROCYCLIC KINASE INHIBITOR HITGEN INC (CN) 2022-07-06 — — EP disclosed
US-20210147443-A1 MACROCYCLIC KINASE INHIBITOR HITGEN INC. (CN) 2021-05-20 — — US disclosed
EP-3783000-A1 MACROCYCLIC KINASE INHIBITOR Hitgen Inc. (CN) 2021-02-24 — — EP disclosed
WO-2019201282-A1 MACROCYCLIC KINASE INHIBITOR 成都先导药物开发股份有限公司 2019-10-24 — — WO 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-20210147443-A1 MACROCYCLIC KINASE INHIBITOR MAP3K20, TNK2, NTRK1 RIPK1 185/4885TACR1 2811/4885OPRM1 3846/4885
US-11584759-B2 Macrocyclic kinase inhibitor MAP3K20, TNK2, NTRK1 RIPK1 185/4885TACR1 2811/4885OPRM1 3846/4885

“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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