SCHEMBL3837809

SCHEMBL3837809

O=C(Nn1ccc2ccccc21)C1CCCN(CCN2CCCCC2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
HPGD P15428 3/20 0.47
MEN1 O00255 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TP53 P04637 1/20 0.47
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
KDM4E B2RXH2 4/20 0.43
SLC6A1 P30531 3/20 0.42
SLC6A11 P48066 1/20 0.42
ALDH1A1 P00352 4/20 0.41
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL3841806 1.00 KMT2A (0.47) KMT2AHPGDMEN1CYP2D6CYP2C19
SCHEMBL3834055 0.99 MTNR1A (0.46) KMT2AHPGDMEN1CYP2D6CYP2C19
SCHEMBL3837761 0.96 KDM4E (0.47) KMT2AHPGDMEN1CYP2D6CYP2C19
SCHEMBL3837724 0.93 MTNR1A (0.43) KMT2AHPGDMEN1CYP2D6CYP2C19
SCHEMBL3838218 0.93 CNR2 (0.44) KMT2AHPGDMEN1CYP2D6CYP2C19
SCHEMBL3829260 0.93 MTNR1A (0.43) KMT2AHPGDMEN1CYP2D6CYP2C19
SCHEMBL3837733 0.91 MTNR1A (0.42) KMT2AHPGDMEN1CYP2D6CYP2C19
SCHEMBL3844238 0.90 DRD2 (0.52) KMT2AHPGDMEN1CYP2D6CYP2C19
SCHEMBL3841126 0.89 CHRNB2 (0.45) KMT2ASMN1; SMN2LMNATSHRHSD17B10
SCHEMBL3878483 0.89 KDM2B (0.46) SMN1; SMN2LMNATSHRHSD17B10TP53

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 12 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 claimed
US-20090258883-A1 1H-Indole-Pyridinecarboxamide and 1H-Indole-Piperidinecarboxamide Compounds LES LABORATOIRES SERVIER (FR) 2009-10-15 US claimed
CN-101257905-A Novel 1h-indole-pyridinecarboxamide derivatives and 1h-indole-piperidinecarboxamide and their use as hydroxalase tyrosine inducers SERVIER LAB (FR) 2008-09-03 CN claimed
US-20090298813-A1 USE OF NEUROPROTECTIVE COMPOUNDS IN OBTAINING MEDICAMENTS INTENDED FOR THE TREATMENT OF NEURODEGENERATING DISEASES LES LABORATOIRES SERVIER (FR) 2009-12-03 US disclosed
CN-101578100-A Use of neuroprotective compounds for obtaining drugs for treating neurodegenerative diseases SERVIER LAB (FR) 2009-11-11 CN disclosed
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
EP-2101768-A2 USE OF NEUROPROTECTIVE COMPOUNDS FOR OBTAINING DRUGS FOR TREATING NEURODEGENERATIVE DISEASES Les Laboratoires Servier (FR) 2009-09-23 EP disclosed
CN-101257905-A Novel 1h-indole-pyridinecarboxamide derivatives and 1h-indole-piperidinecarboxamide and their use as hydroxalase tyrosine inducers SERVIER LAB (FR) 2008-09-03 CN disclosed
WO-2008099083-A2 USE OF NEUROPROTECTIVE COMPOUNDS FOR OBTAINING DRUGS FOR TREATING NEURODEGENERATIVE DISEASES LES LABORATOIRES SERVIER (FR) 2008-08-21 WO disclosed
EP-1931341-A2 NOVEL 1H-INDOLE-PYRIDINECARBOXAMIDE DERIVATIVES AND 1H-INDOLE-PIPERIDINECARBOXAMIDE AND THEIR USE AS HYDROXALASE TYROSINE INDUCERS Les Laboratoires Servier (FR) 2008-06-18 EP disclosed
WO-2007006922-A2 NOVEL 1H-INDOLE-PYRIDINECARBOXAMIDE DERIVATIVES AND 1H-INDOLE-PIPERIDINECARBOXAMIDE AND THEIR USE AS HYDROXYLASE TYROSINE INDUCERS LES LABORATOIRES SERVIER (FR) 2007-01-18 WO 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 (2 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-20090298813-A1 USE OF NEUROPROTECTIVE COMPOUNDS IN OBTAINING MEDICAMENTS INTENDED FOR THE TREATMENT OF NEURODEGENERATING DISEASES NLN, GAP43, SNCA KMT2A 4227/4885HPGD 490/4885MEN1 3021/4885
US-20090258883-A1 1H-Indole-Pyridinecarboxamide and 1H-Indole-Piperidinecarboxamide Compounds IDO1, AHR, IDO2 KMT2A 871/4885HPGD 906/4885MEN1 4245/4885

“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.