SCHEMBL4518775

SCHEMBL4518775

CCCCN1CCN(CCN2CCCC(C(=O)O)C2CC)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CHRM3 P20309 1/20 0.36
KCNH2 Q12809 1/20 0.35
NR1I2 O75469 1/20 0.35
GBA2 Q9HCG7 2/20 0.35
OPRD1 P41143 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PMP22 Q01453 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL9340416 0.90 GBA2 (0.42) BCHESMN1; SMN2KCNH2NR1I2GBA2
SCHEMBL4523595 0.85 SMN1; SMN2 (0.37) BCHESMN1; SMN2CHRM3GBA2OPRD1
SCHEMBL26050348 0.81 GBA2 (0.47) KCNH2NR1I2GBA2ALDH1A1
SCHEMBL7700224 0.78 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1
SCHEMBL4505055 0.77 HRH3 (0.31) KDM4EALDH1A1
SCHEMBL26050252 0.75 GBA1 (0.45) SMN1; SMN2GBA2
SCHEMBL16207902 0.73 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1
SCHEMBL3840187 0.71 BCHE (0.61) BCHESMN1; SMN2
SCHEMBL4514040 0.71 BCHE (0.36) BCHESMN1; SMN2ALDH1A1
SCHEMBL4083012 0.70 GBA2 (0.43) BCHEKCNH2NR1I2GBA2OPRD1

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 BCHE 1114/4885SMN1; SMN2 2887/4885CHRM3 246/4885

“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.