SCHEMBL4522597

SCHEMBL4522597

COC(=O)C1=CN(CCN(C)C)CCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 4/20 0.32
RAB9A P51151 2/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL4500658 0.84 LMNA (0.41) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL3838167 0.84 KDM5A (0.36) LMNAALDH1A1CRHBPCRHR2HIF1A
SCHEMBL4504868 0.75 LMNA (0.46) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL4509275 0.74 LMNA (0.33) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL4525215 0.69 LMNA (0.59) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL9432586 0.66 ALDH1A1 (0.33) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL9432543 0.64 ALDH1A1 (0.35) LMNACHRM2CHRM4CHRM5THRB
SCHEMBL16499446 0.63 CHRM3 (0.44) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL23773671 0.63 RAB9A (0.53) MAPK1ALDH1A1RAB9AHSP90AA1HSP90AB1
SCHEMBL14621783 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258883-A1 1H-Indole-Pyridinecarboxamide and 1H-Indole-Piperidinecarboxamide Compounds LES LABORATOIRES SERVIER (FR) 2009-10-15 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 (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-20090258883-A1 1H-Indole-Pyridinecarboxamide and 1H-Indole-Piperidinecarboxamide Compounds IDO1, AHR, IDO2 LMNA 2200/4885CHRM2 314/4885CHRM4 900/4885

“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.