SCHEMBL4516519

SCHEMBL4516519

COC(=O)C1=CCCN(CCN2CCN(CCO[Si](C)(C)C(C)(C)C)CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
CHRM2 P08172 2/20 0.48
CHRM4 P08173 2/20 0.48
CHRM5 P08912 2/20 0.48
CHRM1 P11229 2/20 0.48
CHRM3 P20309 2/20 0.48
THRB P10828 1/20 0.48
BLM P54132 3/20 0.47
MCOLN3 Q8TDD5 1/20 0.47
KMT2A Q03164 3/20 0.39
CYP2C9 P11712 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
SLC6A1 P30531 1/20 0.39
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
PMP22 Q01453 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37

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
SCHEMBL4515554 0.96 LMNA (0.51) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL3837798 0.88 KMT2A (0.50) LMNABLMKMT2ACYP2C9MEN1
SCHEMBL3842966 0.84 KMT2A (0.51) LMNABLMKMT2ACYP2C9MEN1
SCHEMBL4511928 0.80 LMNA (0.65) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL4514388 0.79 LMNA (0.59) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL4519711 0.78 CHRM3 (0.60) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL3842579 0.77 KMT2A (0.36) LMNABLMKMT2ACYP2C9MEN1
SCHEMBL4509743 0.75 LMNA (0.64) LMNACHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL10419888 0.73 LMNA (0.62) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL4520047 0.73 LMNA (0.62) LMNACHRM2CHRM4CHRM5CHRM1

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.