SCHEMBL20907705

SCHEMBL20907705

CC(C)OC(=O)C(N)(CC(C)(C)C)c1ccc2nc(C3CC3)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ PDE2A O00408 4/20 0.33
▸ PDE10A Q9Y233 4/20 0.33
▸ HPGDS O60760 2/20 0.32
▸ POLB P06746 1/20 0.31
▸ TRPV3 Q8NET8 1/20 0.31
▸ IDO1 P14902 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SCN9A Q15858 1/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ GRM1 Q13255 1/20 0.30

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
SCHEMBL23114938 1.00 KCNH2 (0.34) KCNH2HRH3PDE2APDE10AHPGDS
SCHEMBL20907701 0.81 MEN1 (0.34) MEN1KMT2ASCN9A
SCHEMBL20908156 0.77 TTR (0.35) KCNH2TRPV3MEN1KMT2A
SCHEMBL29640252 0.77 TTR (0.35) KCNH2TRPV3MEN1KMT2A
SCHEMBL28412390 0.76 CTSS (0.36) MEN1KMT2A
SCHEMBL29640147 0.76 CTSS (0.36) MEN1KMT2A
SCHEMBL20908298 0.75 FGFR1 (0.34) —
SCHEMBL21148868 0.75 FGFR1 (0.34) —
SCHEMBL20908215 0.72 CA12 (0.38) KCNH2MEN1KMT2A
Hydrochloric Acid SCHEMBL29640280 0.72 CA12 (0.37) KCNH2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10774053-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2020-09-15 — — US disclosed
US-20190210978-A1 HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2019-07-11 — — US disclosed
WO-2019075291-A1 1-BENZYL-2-IMINO-4-PHENYL-5-OXOIMIDAZOLIDINE DERIVATIVES AS HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2019-04-18 — — 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-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN KCNH2 3253/4885HRH3 2940/4885PDE2A 2143/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN KCNH2 3781/4885HRH3 850/4885PDE2A 3146/4885

“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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