SCHEMBL3841799

SCHEMBL3841799

O=C(Nn1ccc2ccccc21)C1=CCCN(CCN2CCN(CCO)CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
BLM P54132 2/20 0.35
PMP22 Q01453 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
PKM P14618 1/20 0.34
HTT P42858 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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 0.93 SIGMAR1 (0.38) SLC6A1DRD2DRD4DRD3ALDH1A1
SCHEMBL3841744 0.90 HPGD (0.38) SLC6A1ALDH1A1KDM4ELMNABLM
SCHEMBL3837835 0.84 HTR2C (0.41) SLC6A1ALDH1A1KDM4ELMNABLM
SCHEMBL3840170 0.84 KDM4E (0.35) SLC6A1ALDH1A1KDM4ELMNABLM
Hydrochloric Acid SCHEMBL4513858 0.83 HTR2C (0.41) SLC6A1ALDH1A1KDM4ELMNABLM
SCHEMBL3843600 0.83 HTR6 (0.35) DRD2DRD3ALDH1A1LMNAPMP22
SCHEMBL3842579 0.82 KMT2A (0.36) SLC6A1ALDH1A1KDM4ELMNABLM
SCHEMBL3842592 0.81 CHRM2 (0.46) DRD2DRD4DRD3LMNABLM
SCHEMBL3842313 0.80 HTR7 (0.42) ALDH1A1KDM4EMAPK1L3MBTL1HTR6
SCHEMBL3841078 0.79 HTR7 (0.43) ALDH1A1KDM4ELMNAPMP22KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 SLC6A1 488/4885DRD2 1334/4885DRD4 1287/4885
US-20090258883-A1 1H-Indole-Pyridinecarboxamide and 1H-Indole-Piperidinecarboxamide Compounds IDO1, AHR, IDO2 SLC6A1 945/4885DRD2 41/4885DRD4 77/4885

“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.