SCHEMBL20907613

SCHEMBL20907613

CC(C)OC(=O)[C@@](N)(CC(C)(C)C)c1ccc(-n2cncn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ GPR119 Q8TDV5 2/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ SMYD3 Q9H7B4 1/20 0.36
▸ BRS3 P32247 1/20 0.36
▸ GRM2 Q14416 1/20 0.36
▸ SYK P43405 1/20 0.35
▸ DPP4 P27487 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ DPP8 Q6V1X1 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL20907804 0.81 MEN1 (0.35) ALDH1A1MEN1KMT2A
SCHEMBL21149466 0.81 MEN1 (0.35) ALDH1A1MEN1KMT2A
SCHEMBL21148969 0.81 RXFP1 (0.37) MAPTHTTCYP1A2CYP2D6CYP2C9
SCHEMBL28401742 0.81 RXFP1 (0.37) MAPTHTTCYP1A2CYP2D6CYP2C9
SCHEMBL28401265 0.81 GCGR (0.37) ALDH1A1MEN1KMT2A
SCHEMBL20907564 0.81 GCGR (0.37) ALDH1A1MEN1KMT2A
SCHEMBL21149580 0.78 NPC1 (0.36) GPR119CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL21148968 0.77 MEN1 (0.41) SMN1; SMN2MAPTHTTCYP1A2CYP2C9
SCHEMBL28890357 0.77 MEN1 (0.41) SMN1; SMN2MAPTHTTCYP1A2CYP2C9
SCHEMBL20908058 0.76 KMT2A (0.40) SMN1; SMN2MAPTHTTCYP1A2CYP2C9

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-11352329-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2022-06-07 — — US disclosed
US-20210078959-A1 HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2021-03-18 — — US disclosed
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 (4 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-20210078959-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, FURIN SMN1; SMN2 2891/4885MAPT 1817/4885HSP90AA1 3914/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN SMN1; SMN2 2891/4885MAPT 1817/4885HSP90AA1 3914/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN SMN1; SMN2 2891/4885MAPT 1817/4885HSP90AA1 3914/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN SMN1; SMN2 3372/4885MAPT 1742/4885HSP90AA1 3747/4885

“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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