SCHEMBL30452590

SCHEMBL30452590

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
PREP P48147 3/20 0.46
HTT P42858 1/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
GFER P55789 1/20 0.45
CTRB1 P17538 1/20 0.45
PRMT5 O14744 1/20 0.44
ALDH1A1 P00352 1/20 0.44
FKBP1A P62942 1/20 0.44

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
SCHEMBL25762540 0.94 HTT (0.47) HTT
SCHEMBL30453122 0.90 PRCP (0.46) NPSR1PREPTSHRL3MBTL1KMT2A
SCHEMBL30511007 0.85 OPRD1 (0.49) NPSR1PREPTSHRL3MBTL1KMT2A
SCHEMBL30452094 0.85 MEN1 (0.45) NPSR1PREPHTTKMT2A
SCHEMBL25766939 0.85 ACE2 (0.52) NPSR1PREPTSHRL3MBTL1KMT2A
SCHEMBL25449146 0.84 PRMT5 (0.47) NPSR1HTTKMT2APRMT5FKBP1A
SCHEMBL12496208 0.82 FKBP1A (0.52) PRMT5FKBP1A
SCHEMBL13567882 0.82 PREP (0.47) NPSR1PREPTSHRL3MBTL1KDM4E
SCHEMBL7303935 0.82 PRCP (0.51) NPSR1PREPHTTTSHRL3MBTL1
SCHEMBL9037209 0.82 KLK7 (0.51) PREPHTTKMT2AACE2PRMT5

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
EP-4440700-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION Gilead Sciences, Inc. (US) 2024-10-09 EP disclosed
US-12084467-B2 Therapeutic compounds for HIV virus infection GILEAD SCIENCES, INC. (US) 2024-09-10 US disclosed
US-20230203071-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. 2023-06-29 US disclosed
WO-2023102529-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. (US) 2023-06-08 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-12084467-B2 Therapeutic compounds for HIV virus infection HAVCR2, MAVS, CD4 NPSR1 4454/4885PREP 901/4885HTT 3181/4885
US-20230203071-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION HAVCR2, MAVS, CD4 NPSR1 4454/4885PREP 901/4885HTT 3181/4885

“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.