SCHEMBL30416618

SCHEMBL30416618

CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.48
SIGMAR1 Q99720 1/20 0.46
PARP1 P09874 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PRMT5 O14744 1/20 0.43
FKBP1A P62942 2/20 0.43
PREP P48147 3/20 0.42
HTR2C P28335 1/20 0.42
SLC6A4 P31645 1/20 0.42
OPRD1 P41143 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL30511055 0.97 SIGMAR1 (0.50) KLK7SIGMAR1PARP1MEN1KMT2A
SCHEMBL30511005 0.92 PREP (0.47) KLK7SIGMAR1PARP1PREPHTR2C
SCHEMBL34474623 0.92 PREP (0.47) KLK7SIGMAR1PARP1PREPHTR2C
SCHEMBL30511053 0.90 KLK7 (0.47) KLK7SIGMAR1PARP1MEN1KMT2A
SCHEMBL30511049 0.90 KLK7 (0.47) KLK7SIGMAR1PARP1MEN1KMT2A
SCHEMBL30393200 0.87 SIGMAR1 (0.48) KLK7SIGMAR1PARP1MEN1KMT2A
SCHEMBL10060303 0.87 KLK7 (0.46) KLK7SIGMAR1PARP1MEN1KMT2A
SCHEMBL25184580 0.87 SIGMAR1 (0.51) SIGMAR1FKBP1APREPACE2BCHE
SCHEMBL25180646 0.87 SIGMAR1 (0.51) SIGMAR1FKBP1APREPACE2BCHE
SCHEMBL25416510 0.84 SIGMAR1 (0.56) SIGMAR1MEN1KMT2AFKBP1ABCHE

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-20250034200-A1 Prodrugs of Neurosteroid Analogs and Uses Thereof UNIV EMORY (US) 2025-01-30 US disclosed
US-20250026781-A1 Prodrugs of Neurosteroid Analogs and Uses Thereof UNIV EMORY (US) 2025-01-23 US disclosed
WO-2024197317-A2 NEUROSTEROIDS AND PRODRUGS THEREOF EMORY UNIVERSITY (US) 2024-09-26 WO disclosed
WO-2023086432-A1 PRODRUGS OF NEUROSTEROID ANALOGS AND USES THEREOF EMORY UNIVERSITY (US) 2023-05-19 WO disclosed
WO-2023086438-A1 PRODRUGS OF NEUROSTEROID ANALOGS AND USES THEREOF EMORY UNIVERSITY (US) 2023-05-19 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-20250034200-A1 Prodrugs of Neurosteroid Analogs and Uses Thereof CYP11B2, CYP11B1, CYP21A2 KLK7 1237/4885SIGMAR1 2792/4885PARP1 1816/4885
US-20250026781-A1 Prodrugs of Neurosteroid Analogs and Uses Thereof CYP11B1, CYP11B2, CYP11A1 KLK7 2345/4885SIGMAR1 2309/4885PARP1 1458/4885

“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.