SCHEMBL25556119

SCHEMBL25556119

CN1C(=O)CCCc2ccncc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 7/20 0.46
▸ CYP11B2 P19099 7/20 0.46
▸ CYP19A1 P11511 6/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP17A1 P05093 2/20 0.46
▸ SIGMAR1 Q99720 1/20 0.44
▸ BMPR1B O00238 1/20 0.43
▸ BMPR1A P36894 1/20 0.43
▸ TGFBR1 P36897 1/20 0.43
▸ ACVRL1 P37023 1/20 0.43
▸ ACVR1 Q04771 1/20 0.43
▸ CYP3A4 P08684 3/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ INSR P06213 1/20 0.36
▸ ALK Q9UM73 1/20 0.36

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
SCHEMBL19496039 0.90 CYP11B1 (0.55) CYP11B1CYP11B2CYP19A1CYP1A2CYP17A1
SCHEMBL25017649 0.87 CYP11B2 (0.49) CYP11B1CYP11B2CYP19A1CYP1A2CYP17A1
SCHEMBL12045381 0.81 ACVRL1 (0.43) CYP11B1CYP11B2CYP19A1CYP1A2CYP17A1
SCHEMBL23563044 0.80 SIGMAR1 (0.41) CYP11B1CYP11B2CYP17A1SIGMAR1BMPR1B
SCHEMBL19495406 0.76 CYP11B1 (0.58) CYP11B1CYP11B2CYP19A1CYP1A2CYP17A1
SCHEMBL29946500 0.75 MEN1 (0.50) CYP1A2
SCHEMBL678115 0.75 MEN1 (0.50) CYP1A2
SCHEMBL25585039 0.74 GRM5 (0.38) CYP11B1CYP11B2CYP19A1CYP1A2CYP17A1
SCHEMBL16998410 0.74 SIGMAR1 (0.48) SIGMAR1CHRNB2CHRNA4
SCHEMBL25585024 0.73 CYP19A1 (0.49) CYP11B1CYP11B2CYP19A1CYP1A2CYP17A1

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-20230159508-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2023-05-25 — — 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-20230159508-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE RIPK1, RIPK2, RIPK4 CYP11B1 4431/4885CYP11B2 4704/4885CYP19A1 4476/4885

“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