SCHEMBL3837780

SCHEMBL3837780

CN1CCN(CCN2CCC=C(C(=O)Nn3ccc4ccccc43)C2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.38
SLC6A1 P30531 1/20 0.38
HTR6 P50406 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
CYP2C19 P33261 2/20 0.36
HTR7 P34969 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
BLM P54132 2/20 0.36
PMP22 Q01453 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 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
SCHEMBL3841799 0.93 SLC6A1 (0.37) SLC6A1HTR6DRD2DRD4DRD3
SCHEMBL3841744 0.91 HPGD (0.38) SIGMAR1SLC6A1HTR6CYP2C19KDM4E
SCHEMBL3842313 0.87 HTR7 (0.42) HTR6HTR7KDM4EALDH1A1MAPK1
SCHEMBL3837835 0.87 HTR2C (0.41) SIGMAR1SLC6A1HTR6CYP2C19KDM4E
SCHEMBL3840170 0.87 KDM4E (0.35) SLC6A1CYP2C19KDM4EALDH1A1LMNA
SCHEMBL3841078 0.86 HTR7 (0.43) HTR6HTR7KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL4513858 0.86 HTR2C (0.41) SLC6A1HTR6CYP2C19KDM4EALDH1A1
SCHEMBL3842592 0.86 CHRM2 (0.46) DRD2DRD4DRD3LMNABLM
SCHEMBL3842579 0.85 KMT2A (0.36) SLC6A1CYP2C19KDM4EALDH1A1LMNA
SCHEMBL3837840 0.85 HTR7 (0.44) HTR6HTR7KDM4EALDH1A1TP53

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 6 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
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 SIGMAR1 1548/4885SLC6A1 488/4885HTR6 706/4885
US-20090258883-A1 1H-Indole-Pyridinecarboxamide and 1H-Indole-Piperidinecarboxamide Compounds IDO1, AHR, IDO2 SIGMAR1 47/4885SLC6A1 945/4885HTR6 146/4885

“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.