SCHEMBL5567244

SCHEMBL5567244

CC(C)(C)OC(=O)N1CCC(CN)(NC(=O)C(F)(F)F)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.39
PIK3R1 P27986 8/20 0.38
PIK3CA P42336 8/20 0.38
HDAC1 Q13547 1/20 0.37
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
EPHX2 P34913 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
CYP11B2 P19099 1/20 0.36
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RORC P51449 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
SCHEMBL1586974 0.92 EPHX2 (0.43) HDAC2HDAC1JAK2JAK1EPHX2
SCHEMBL5568440 0.88 HDAC2 (0.37) HDAC2PIK3R1PIK3CAHDAC1JAK2
SCHEMBL4778809 0.86 EPHX2 (0.39) HDAC2PIK3R1PIK3CAJAK2JAK1
SCHEMBL19625229 0.86 EPHX2 (0.39) HDAC2PIK3R1PIK3CAEPHX2PIK3CD
SCHEMBL1684623 0.81 EPHX2 (0.40) HDAC2HDAC1JAK2JAK1EPHX2
SCHEMBL19331998 0.79 CNR2 (0.38) HDAC2PIK3R1PIK3CAEPHX2USP2
SCHEMBL19331746 0.78 JAK2 (0.41) PIK3R1PIK3CAJAK2JAK1
SCHEMBL19331963 0.78 PIK3R1 (0.37) HDAC2PIK3R1PIK3CAJAK2JAK1
SCHEMBL14206768 0.78 USP2 (0.43) HDAC2HDAC1JAK2JAK1EPHX2
SCHEMBL1003106 0.78 EPHX2 (0.46) EPHX2USP2SMN1; SMN2

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
EP-3229805-B1 SPIROCYCLIC HETEROCYCLE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-04-19 EP disclosed
US-10221186-B2 Spirocyclic heterocyclic compounds useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2019-03-05 US disclosed
US-20170334924-A1 Spirocyclic Heterocyclic Compounds Useful As HIV Integrase Inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-23 US disclosed
US-7202246-B2 Spiro-rifamycin derivatives targeting RNA polymerase CUMBRE PHARMACEUTICALS INC. (US) 2007-04-10 US disclosed
US-20050277633-A1 E.g., rifamycin S derivatives such as 2',2'-Dimethyl-3,4-piperazinorifamycin S and Spiro[N-methyl-piperidine-3,4-piperazinorifamycin S; treating bacterial infections, especially those caused by rifamycin-resistant bacteria CUMBRE INC. (US) 2005-12-15 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 (3 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-20050277633-A1 E.g., rifamycin S derivatives such as 2',2'-Dimethyl-3,4-piperazinorifamycin S and Spiro[N-methyl-piperidine-3,4-piperazinorifamycin S; treating bacterial infections, especially those caused by rifamycin-resistant bacteria RIF1, MAPRE1, MAPRE2 HDAC2 25/4885PIK3R1 3960/4885PIK3CA 1622/4885
US-20170334924-A1 Spirocyclic Heterocyclic Compounds Useful As HIV Integrase Inhibitors CCNY, CDKN1A, RPIA HDAC2 233/4885PIK3R1 490/4885PIK3CA 321/4885
US-10221186-B2 Spirocyclic heterocyclic compounds useful as HIV integrase inhibitors CCNY, CDKN1A, RPIA HDAC2 233/4885PIK3R1 490/4885PIK3CA 321/4885

“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.