SCHEMBL1343620

SCHEMBL1343620

CC(C)(C)OC(=O)N1CCN(CCCN2CCCC(O)C2)C(=O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR1A P08908 1/20 0.39
HRH2 P25021 2/20 0.37
HRH1 P35367 2/20 0.37
CHRM2 P08172 2/20 0.37
CHRM1 P11229 2/20 0.37
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
NR1H2 P55055 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
BACE1 P56817 2/20 0.35
CTSD P07339 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE7A Q13946 1/20 0.35
CHRM3 P20309 1/20 0.34
HPGD P15428 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL1341750 0.94 HRH3 (0.37) MEN1ALDH1A1MAPTKMT2AHRH2
SCHEMBL1344188 0.87 CHRM2 (0.39) MEN1ALDH1A1MAPTKMT2AHRH2
SCHEMBL1343264 0.86 HRH3 (0.42) MEN1KMT2AHRH2HRH1CHRM2
SCHEMBL1342732 0.83 NR1H2 (0.45) MEN1ALDH1A1MAPTKMT2ACHRM2
SCHEMBL29001625 0.79 HPGD (0.45) MEN1ALDH1A1MAPTKMT2ACHRM2
SCHEMBL1344403 0.79 USP2 (0.41) MEN1ALDH1A1MAPTKMT2ACHRM2
SCHEMBL2932224 0.79 SMN1; SMN2 (0.49) ALDH1A1MAPTKMT2ACHRM2CHRM1
SCHEMBL1341937 0.79 HRH3 (0.37) MEN1ALDH1A1MAPTKMT2ACHRM2
SCHEMBL1344245 0.79 HRH3 (0.37) MEN1ALDH1A1MAPTKMT2ACHRM2
SCHEMBL1341939 0.79 HRH3 (0.37) MEN1ALDH1A1MAPTKMT2ACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063042-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
EP-2220055-A2 NOVEL HETEROCYCLYL COMPOUNDS AND THEIR USE AS CHEMOKINE ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-08-25 EP disclosed
US-20090023713-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE, INC. 2009-01-22 US disclosed
WO-2009010429-A2 NOVEL HETEROCYCLYL COMPOUNDS AND THEIR USE AS CHEMOKINE ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-22 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 (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-20090023713-A1 HETEROCYCLIC COMPOUNDS CCR5, CCR3, CCR2 MEN1 3201/4885ALDH1A1 2364/4885MAPT 4693/4885

“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.