SCHEMBL4646027

SCHEMBL4646027

CC(C)(C)OC(=O)NC1(C(=O)O)CC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
BTK Q06187 1/20 0.35
GAA P10253 2/20 0.35
APLNR P35414 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HCRTR2 O43614 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CACNA1H O95180 1/20 0.32
DGAT1 O75907 1/20 0.31
CTSL P07711 1/20 0.31
FOLH1 Q04609 1/20 0.31

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
SCHEMBL15106459 0.84 MEN1 (0.36) MEN1KMT2AMAPK1BTKGAA
SCHEMBL5111928 0.78 KMT2A (0.36) MEN1KMT2AMAPK1GAAAPLNR
SCHEMBL28747519 0.77 SMN1; SMN2 (0.32) MEN1KMT2AMAPK1GAAAPLNR
SCHEMBL31758147 0.76 BTK (0.35) MEN1KMT2AMAPK1BTKGAA
SCHEMBL27477862 0.74 MEN1 (0.37) MEN1KMT2AMAPK1BTKGAA
SCHEMBL18038894 0.74 KMT2A (0.41) MEN1KMT2AMAPK1BTKGAA
SCHEMBL12822000 0.74 NPC1 (0.41) GAA
SCHEMBL16118673 0.74 MEN1 (0.46) MEN1KMT2AMAPK1BTKGAA
SCHEMBL23092667 0.74 CTSS (0.38) MEN1KMT2AGAACA1CA7
SCHEMBL1537605 0.74 MEN1 (0.31) MEN1KMT2AMAPK1GAAAPLNR

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
WO-2023044171-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2023-03-23 WO disclosed
US-9056858-B2 Indazole and pyrazolopyridine compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-16 US disclosed
US-20120270870-A1 Indazole and Pyrazolopyridine Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
EP-1748043-B1 Polysubstituted 1,1-pyridinyloxycyclopropanamine derivatives, process for their préparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2008-08-20 EP disclosed
EP-1748043-A1 Polysubstituted 1,1-pyridinyloxycyclopropanamine derivatives, process for their préparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2007-01-31 EP 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 (1 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-20120270870-A1 Indazole and Pyrazolopyridine Compounds As CCR1 Receptor Antagonists CCR1, CCRL2, CCR3 MEN1 3175/4885KMT2A 4308/4885MAPK1 1159/4885

“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.