SCHEMBL18570243

SCHEMBL18570243

CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 4/20 0.61
PSMB8 P28062 1/20 0.55
MAP4K4 O95819 1/20 0.53
PTPN1 P18031 2/20 0.53
PTPN11 Q06124 1/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 1/20 0.51
NAMPT P43490 1/20 0.51
TAAR1 Q96RJ0 1/20 0.50
BCL2 P10415 2/20 0.49
BECN1 Q14457 2/20 0.49
MITF O75030 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
CD274 Q9NZQ7 1/20 0.48

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
SCHEMBL20865536 0.93 CYP17A1 (0.68) CYP17A1PSMB8MAP4K4PTPN1PTPN11
SCHEMBL14274234 0.92 CYP17A1 (0.59) CYP17A1PSMB8NPC1RAB9AMEN1
SCHEMBL775002 0.89 NAMPT (0.56) CYP17A1PSMB8NPC1RAB9ASMN1; SMN2
SCHEMBL13055402 0.87 CYP17A1 (0.59) CYP17A1PSMB8MAP4K4PTPN11SMN1; SMN2
SCHEMBL13931410 0.87 CYP17A1 (0.52) CYP17A1MAP4K4BCL2BECN1
SCHEMBL3360413 0.87 CYP17A1 (0.63) CYP17A1PSMB8MAP4K4MAPTNAMPT
SCHEMBL9479696 0.86 MAPT (0.58) CYP17A1RAB9ASMN1; SMN2MEN1MAPT
SCHEMBL3461792 0.86 SMN1; SMN2 (0.59) CYP17A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3968632 0.86 CYP17A1 (0.61) CYP17A1PSMB8MAP4K4PTPN1SMN1; SMN2
SCHEMBL25432469 0.85 CYP17A1 (0.55) CYP17A1MAP4K4NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250134907-A1 FUSED DIAZEPINES AS AGONISTS OF THE INSULIN-LIKE 3 (INSL3) PEPTIDE RECEPTOR RXFP2 AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2025-05-01 US disclosed
EP-4476222-A1 FUSED DIAZEPINES AS AGONISTS OF THE INSULIN-LIKE 3 (INSL3) PEPTIDE RECEPTOR RXFP2 AND METHODS OF USE THEREOF The United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2024-12-18 EP disclosed
WO-2023154197-A1 FUSED DIAZEPINES AS AGONISTS OF THE INSULIN-LIKE 3 (INSL3) PEPTIDE RECEPTOR RXFP2 AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-08-17 WO disclosed
EP-1390340-B1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2017-03-01 EP 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-20250134907-A1 FUSED DIAZEPINES AS AGONISTS OF THE INSULIN-LIKE 3 (INSL3) PEPTIDE RECEPTOR RXFP2 AND METHODS OF USE THEREOF RXFP3, RXFP4, RXFP2 CYP17A1 459/4885PSMB8 3840/4885MAP4K4 2304/4885

“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.