SCHEMBL1344248

SCHEMBL1344248

CC1CN(C(=O)OC(C)(C)C)CC(=O)N1CCCN1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
HPGD P15428 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
SETD7 Q8WTS6 1/20 0.36
PREP P48147 1/20 0.36
TLR8 Q9NR97 1/20 0.35
EPHX1 P07099 1/20 0.35
NR1H2 P55055 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL19382281 0.79 NR1H2 (0.41) MEN1KMT2AALDH1A1MAPTSETD7
SCHEMBL19382280 0.79 NR1H2 (0.41) MEN1KMT2AALDH1A1MAPTSETD7
SCHEMBL1342928 0.78 KMT2A (0.37) CHRM2CHRM1HPGDHRH3MEN1
SCHEMBL1342931 0.78 KMT2A (0.37) CHRM2CHRM1HPGDHRH3MEN1
SCHEMBL1344060 0.78 KMT2A (0.37) CHRM2CHRM1HPGDHRH3MEN1
SCHEMBL1343264 0.77 HRH3 (0.42) CHRM2CHRM1HPGDHRH3MEN1
SCHEMBL19382170 0.76 NR1H2 (0.39) MAPTSETD7NR1H2
SCHEMBL1570895 0.75 MEN1 (0.41) CHRM2CHRM1HPGDLMNATP53
SCHEMBL25196534 0.75 SETD7 (0.41) CHRM2CHRM1HPGDMAPTSETD7
SCHEMBL17782085 0.74 HPGD (0.49) CHRM2CHRM1HPGDMEN1KMT2A

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 CHRM2 81/4885CHRM1 67/4885HPGD 1654/4885

“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.