SCHEMBL25585024

SCHEMBL25585024

CN1C(=O)CCCc2ccc(C#Cc3cccnc3)cc21

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 5/20 0.49
▸ CYP11B1 P15538 5/20 0.49
▸ CYP11B2 P19099 5/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ CYP17A1 P05093 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ GRM4 Q14833 3/20 0.46
▸ GRM5 P41594 7/20 0.45
▸ MAP3K14 Q99558 1/20 0.40

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
SCHEMBL25585039 0.85 GRM5 (0.38) CYP19A1CYP11B1CYP11B2CYP3A4CYP17A1
SCHEMBL25587241 0.80 GRM5 (0.45) CYP19A1CYP11B1CYP11B2CYP3A4GRM4
SCHEMBL25587254 0.79 CYP11B1 (0.47) CYP19A1CYP11B1CYP11B2CYP3A4CYP17A1
SCHEMBL25584836 0.79 RIPK1 (0.47) CYP19A1CYP11B1CYP11B2CYP3A4CYP17A1
SCHEMBL30387134 0.79 RIPK1 (0.47) CYP19A1CYP11B1CYP11B2CYP3A4CYP17A1
SCHEMBL23081632 0.77 CYP11B1 (0.51) CYP19A1CYP11B1CYP11B2CYP3A4CYP17A1
SCHEMBL21859175 0.75 NPC1 (0.46) CYP11B1CYP11B2CYP3A4CYP1A2GRM4
SCHEMBL25587249 0.75 BACE1 (0.42) —
SCHEMBL30832140 0.74 SLC6A4 (0.40) —
SCHEMBL25556119 0.73 CYP11B1 (0.46) CYP19A1CYP11B1CYP11B2CYP3A4CYP17A1

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-20230167129-A1 HETEROCYCLIC AMIDE FOR INHIBITING RIP1 KINASE AND USES THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-06-01 — — 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 (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-20230167129-A1 HETEROCYCLIC AMIDE FOR INHIBITING RIP1 KINASE AND USES THEREOF RIPK1, RIPK3, RIPK4 CYP19A1 3084/4885CYP11B1 2676/4885CYP11B2 3487/4885

“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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