SCHEMBL3841744

SCHEMBL3841744

O=C(Nn1ccc2ccccc21)C1=CCCN(CCN2CCCCC2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC6A1 P30531 1/20 0.38
RAD52 P43351 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
OPRK1 P41145 3/20 0.37
KMT2A Q03164 3/20 0.37
HTR6 P50406 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.36
CYP2D6 P10635 3/20 0.36
CYP2C19 P33261 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL3837780 0.91 SIGMAR1 (0.38) ALDH1A1GAASLC6A1SIGMAR1KMT2A
SCHEMBL3841799 0.90 SLC6A1 (0.37) ALDH1A1HTTSLC6A1KMT2AHTR6
SCHEMBL3837835 0.85 HTR2C (0.41) ALDH1A1POLBHTTSLC6A1SIGMAR1
SCHEMBL3840170 0.85 KDM4E (0.35) ALDH1A1SMN1; SMN2SLC6A1KMT2AKDM4E
Hydrochloric Acid SCHEMBL4513858 0.84 HTR2C (0.41) ALDH1A1POLBHTTSLC6A1KMT2A
SCHEMBL3842592 0.82 CHRM2 (0.46) GAACYP2D6LMNACYP1A2MAPK1
SCHEMBL3842579 0.81 KMT2A (0.36) ALDH1A1SLC6A1KMT2AKDM4ECYP2D6
SCHEMBL3842313 0.79 HTR7 (0.42) HPGDALDH1A1POLBGAARAD52
SCHEMBL3841078 0.78 HTR7 (0.43) ALDH1A1POLBGAAMAPTSMN1; SMN2
SCHEMBL3837840 0.76 HTR7 (0.44) ALDH1A1POLBMAPTSMN1; SMN2HTR6

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 7 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
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
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
WO-2008099083-A2 USE OF NEUROPROTECTIVE COMPOUNDS FOR OBTAINING DRUGS FOR TREATING NEURODEGENERATIVE DISEASES LES LABORATOIRES SERVIER (FR) 2008-08-21 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 HPGD 490/4885ALDH1A1 1333/4885POLB 3179/4885
US-20090258883-A1 1H-Indole-Pyridinecarboxamide and 1H-Indole-Piperidinecarboxamide Compounds IDO1, AHR, IDO2 HPGD 906/4885ALDH1A1 370/4885POLB 1284/4885

“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.