SCHEMBL21112518

SCHEMBL21112518

CC(C)(C)CC(N)(C(=O)O)c1ccc2nccn2c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SSTR4 P31391 1/20 0.45
▸ KEAP1 Q14145 1/20 0.41
▸ MCHR1 Q99705 1/20 0.40
▸ RET P07949 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ESR1 P03372 1/20 0.36
▸ CPB2 Q96IY4 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ NAMPT P43490 6/20 0.35
▸ DYRK1A Q13627 2/20 0.35

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
SCHEMBL21112516 1.00 SSTR4 (0.45) SSTR4KEAP1MCHR1RETMEN1
SCHEMBL28404124 0.83 SSTR4 (0.41) SSTR4KEAP1MCHR1RETMEN1
SCHEMBL28404125 0.83 SSTR4 (0.41) SSTR4KEAP1MCHR1RETMEN1
SCHEMBL16252867 0.76 KEAP1 (0.50) SSTR4KEAP1MCHR1RETMEN1
SCHEMBL29272576 0.74 MCHR1 (0.52) SSTR4KEAP1MCHR1RETMEN1
SCHEMBL18687142 0.73 KEAP1 (0.47) SSTR4KEAP1MCHR1RETMEN1
SCHEMBL19950935 0.73 SSTR4 (0.49) SSTR4KEAP1MCHR1RETMEN1
SCHEMBL761997 0.72 DYRK1A (0.49) SSTR4KEAP1MCHR1RETMEN1
SCHEMBL20066479 0.71 SSTR4 (0.45) SSTR4KEAP1MCHR1RETMEN1
SCHEMBL21112190 0.70 MEN1 (0.41) MEN1CYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3694846-B1 1-BENZYL-2-IMINO-4-PHENYL-5-OXOIMIDAZOLIDINE DERIVATIVES AS HIV PROTEASE INHIBITORS GILEAD SCIENCES INC (US) 2024-05-08 — — EP disclosed
CN-111212832-B 1-Benzyl-2-imino-4-phenyl-5-oxoimidazolidine derivatives as HIV protease inhibitors 吉利德科学公司 2023-09-15 — — CN disclosed
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
CN-111212832-A 1-benzyl-2-imino-4-phenyl-5-oxoimidazolidine derivatives as HIV protease inhibitors 吉利德科学公司 2020-05-29 — — CN disclosed
US-20190210978-A1 HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2019-07-11 — — US 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 SSTR4 4672/4885KEAP1 2587/4885MCHR1 3734/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN SSTR4 4672/4885KEAP1 2587/4885MCHR1 3734/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN SSTR4 4672/4885KEAP1 2587/4885MCHR1 3734/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN SSTR4 4732/4885KEAP1 2368/4885MCHR1 3799/4885

“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.

Send feedback