SCHEMBL30432469

SCHEMBL30432469

O=CC1CCN(c2nccc(-c3ccccc3)n2)CC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DKK1 O94907 3/20 0.52
▸ SORD Q00796 1/20 0.49
▸ HCAR2 Q8TDS4 1/20 0.48
▸ HCRTR1 O43613 9/20 0.47
▸ HCRTR2 O43614 9/20 0.47
▸ PIK3CA P42336 1/20 0.44
▸ FAAH O00519 1/20 0.42
▸ DPP4 P27487 1/20 0.42

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
SCHEMBL3649628 0.86 DKK1 (0.72) DKK1SORDHCAR2PIK3CAFAAH
SCHEMBL3648686 0.79 DKK1 (0.67) DKK1PIK3CA
SCHEMBL14507090 0.78 ALDH1A1 (0.60) DKK1SORDHCAR2PIK3CA
SCHEMBL16761846 0.77 KDM4E (0.56) —
SCHEMBL2225874 0.76 KMT2A (0.57) DKK1SORDHCAR2PIK3CA
SCHEMBL1275203 0.76 SORD (0.61) SORDHCAR2
SCHEMBL1729056 0.75 DKK1 (0.66) DKK1SORDHCAR2HCRTR1HCRTR2
SCHEMBL2225622 0.75 HCAR2 (0.65) SORDHCAR2HCRTR1HCRTR2PIK3CA
Hydrochloric Acid SCHEMBL3272283 0.74 ALDH1A1 (0.57) DKK1SORDHCAR2PIK3CA
SCHEMBL16689602 0.73 RBP4 (0.73) DKK1SORDHCRTR1HCRTR2

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
CN-118510775-A Isoxazolidines as RIPK1 inhibitors and their use 建新公司 2024-08-16 — — CN disclosed
US-20230203027-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF GENZYME CORPORATION 2023-06-29 — — 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-20230203027-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF RIPK1, RIPK2, RIPK3 DKK1 1855/4885SORD 2773/4885HCAR2 758/4885

“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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