SCHEMBL21335536

SCHEMBL21335536

CC(C)(C)OC(=O)N[C@@]12CNC[C@@H]1C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 2/20 0.36
EPHX2 P34913 2/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
BTK Q06187 1/20 0.31
CACNA1H O95180 1/20 0.31
IDO1 P14902 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
DPP8 Q6V1X1 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
SCHEMBL30325623 1.00 MEN1 (0.39) MEN1MAPK1KMT2AGAAEPHX2
SCHEMBL25201032 1.00 MEN1 (0.39) MEN1MAPK1KMT2AGAAEPHX2
SCHEMBL2301080 1.00 MEN1 (0.39) MEN1MAPK1KMT2AGAAEPHX2
SCHEMBL26607392 1.00 MEN1 (0.39) MEN1MAPK1KMT2AGAAEPHX2
SCHEMBL2670204 0.86 MEN1 (0.35) MEN1MAPK1KMT2AGAABTK
SCHEMBL4748874 0.86 MEN1 (0.37) MEN1MAPK1KMT2AGAAEPHX2
SCHEMBL2670376 0.86 MEN1 (0.37) MEN1MAPK1KMT2AGAAEPHX2
SCHEMBL4918795 0.85 MEN1 (0.38) MEN1MAPK1KMT2AGAAEPHX2
SCHEMBL2670103 0.85 MEN1 (0.38) MEN1MAPK1KMT2AGAAEPHX2
SCHEMBL7517321 0.85 PSEN1 (0.35) MEN1MAPK1KMT2AGAAEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368192-A1 Nitrogen-Containing Heterocyclic Compound, and Preparation Method Therefor, Intermediate Thereof, and Application Thereof SHANGHAI ALLIST PHARMACEUTICALS CO., LTD. (CN) 2024-11-07 US disclosed
US-12091399-B2 Phenyltetrazole derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-09-17 US disclosed
EP-4365178-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF, AND APPLICATION THEREOF Shanghai Allist Pharmaceuticals Co., Ltd. (CN) 2024-05-08 EP disclosed
EP-3863713-B1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-01-25 EP disclosed
US-20210387963-A1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-12-16 US disclosed
EP-3863713-A1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS Boehringer Ingelheim International GmbH (DE) 2021-08-18 EP disclosed
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-27 US disclosed
US-10407407-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-09-10 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 (5 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-10407407-B2 Benzoimidazole derivatives as PAD4 inhibitors PADI4, PADI1, PADI2 MEN1 2711/4885MAPK1 2675/4885KMT2A 1974/4885
US-20210387963-A1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, SERPINE1, SERPINB1 MEN1 1908/4885MAPK1 1420/4885KMT2A 1389/4885
US-20240368192-A1 Nitrogen-Containing Heterocyclic Compound, and Preparation Method Therefor, Intermediate Thereof, and Application Thereof KRAS, NRAS, HRAS MEN1 151/4885MAPK1 962/4885KMT2A 3431/4885
US-12091399-B2 Phenyltetrazole derivatives as plasma kallikrein inhibitors KLKB1, SERPINE1, SERPINB1 MEN1 1908/4885MAPK1 1420/4885KMT2A 1389/4885
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors PADI4, PADI1, PADI2 MEN1 2711/4885MAPK1 2675/4885KMT2A 1974/4885

“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.