SCHEMBL4523595

SCHEMBL4523595

CCC1C(C(=O)O)CCCN1CCCN1CCN(CCO)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
OPRD1 P41143 1/20 0.32
BCHE P06276 3/20 0.32
GBA2 Q9HCG7 2/20 0.31
HTT P42858 2/20 0.31
PKM P14618 1/20 0.31
HSD11B1 P28845 1/20 0.31
CHRM3 P20309 1/20 0.31
CYP1A2 P05177 1/20 0.30
MAPK1 P28482 1/20 0.30
S1PR4 O95977 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
S1PR5 Q9H228 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL4518775 0.85 BCHE (0.37) SMN1; SMN2ALDH1A1OPRD1BCHEGBA2
SCHEMBL9340416 0.83 GBA2 (0.42) SMN1; SMN2KMT2AMEN1OPRD1BCHE
SCHEMBL4505055 0.81 HRH3 (0.31) ALDH1A1KMT2AMEN1KDM4E
SCHEMBL7700224 0.77 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1KMT2AHTT
SCHEMBL26050348 0.74 GBA2 (0.47) ALDH1A1KMT2AMEN1GBA2
SCHEMBL16207902 0.72 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1
SCHEMBL4514040 0.71 BCHE (0.36) SMN1; SMN2ALDH1A1BCHE
SCHEMBL26050252 0.70 GBA1 (0.45) SMN1; SMN2LMNAGBA2
SCHEMBL3841017 0.69
SCHEMBL21676666 0.66 CHRNB2 (0.38) CHRM3

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 SMN1; SMN2 2887/4885ALDH1A1 370/4885LMNA 2200/4885

“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.