SCHEMBL4518772

SCHEMBL4518772

CCCCN1CCN(CCN2CCCC(C(=O)OCC)C2)CC1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
ALDH1A1 P00352 5/20 0.57
BCHE P06276 7/20 0.56
HTR7 P34969 2/20 0.54
HTR1A P08908 1/20 0.54
DRD2 P14416 1/20 0.54
HTR2A P28223 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL9342470 0.96 KDM4E (0.60) KDM4EALDH1A1BCHEHTR7HTR1A
SCHEMBL20794235 0.90 BCHE (0.68) KDM4EALDH1A1BCHEHTR7HTR1A
SCHEMBL4517151 0.90 ALDH1A1 (0.63) KDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL4512497 0.89 ALDH1A1 (0.57) KDM4EALDH1A1HTR7HTR1ADRD2
SCHEMBL4512797 0.89 ALDH1A1 (0.59) KDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL4506995 0.89 ALDH1A1 (0.59) KDM4EALDH1A1HTR7HTR1ADRD2
SCHEMBL4521072 0.89 ALDH1A1 (0.62) KDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL4523590 0.88 ALDH1A1 (0.56) KDM4EALDH1A1HTR7HTR1ADRD2
SCHEMBL4500076 0.88 ALDH1A1 (0.58) KDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL4513801 0.87 ALDH1A1 (0.63) KDM4EALDH1A1SMN1; SMN2TDP1

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 KDM4E 2039/4885ALDH1A1 370/4885BCHE 1114/4885

“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.