SCHEMBL3838121

SCHEMBL3838121

CCOC(=O)C1CCCN(CCN2CCN(C(=O)O)CC2)C1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
KDM4E B2RXH2 5/20 0.59
L3MBTL1 Q9Y468 2/20 0.53
ATM Q13315 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HTR7 P34969 2/20 0.51
HTR1A P08908 1/20 0.51
DRD2 P14416 1/20 0.51
HTR2A P28223 1/20 0.51
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL4517151 0.89 ALDH1A1 (0.63) ALDH1A1KDM4EL3MBTL1ATMSMN1; SMN2
SCHEMBL4512797 0.88 ALDH1A1 (0.59) ALDH1A1KDM4EL3MBTL1ATMSMN1; SMN2
SCHEMBL4521072 0.88 ALDH1A1 (0.62) ALDH1A1KDM4EL3MBTL1ATMSMN1; SMN2
SCHEMBL4500076 0.86 ALDH1A1 (0.58) ALDH1A1KDM4EL3MBTL1ATMSMN1; SMN2
SCHEMBL4518772 0.85 KDM4E (0.57) ALDH1A1KDM4ESMN1; SMN2TDP1HTR7
SCHEMBL4524310 0.84 ALDH1A1 (0.58) ALDH1A1KDM4EL3MBTL1ATMSMN1; SMN2
SCHEMBL4513801 0.83 ALDH1A1 (0.63) ALDH1A1KDM4EL3MBTL1ATMSMN1; SMN2
SCHEMBL4565421 0.83 ALDH1A1 (0.55) ALDH1A1KDM4EL3MBTL1ATMSMN1; SMN2
SCHEMBL4512497 0.83 ALDH1A1 (0.57) ALDH1A1KDM4EL3MBTL1ATMSMN1; SMN2
SCHEMBL4506995 0.82 ALDH1A1 (0.59) ALDH1A1KDM4EL3MBTL1ATMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931341-B1 1H-INDOLE-PYRIDINECARBOXAMIDE AND 1H-INDOLE-PIPERIDINECARBOXAMIDE DERIVATIVES AND THEIR USE AS TYROSINE HYDROXYLASE INDUCERS SERVIER LAB (FR) 2009-11-04 EP disclosed
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 ALDH1A1 370/4885KDM4E 2039/4885L3MBTL1 2761/4885

“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.