SCHEMBL3837835

SCHEMBL3837835

CN(C)CCN1CCC=C(C(=O)Nn2ccc3ccccc32)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.41
HTR2A P28223 1/20 0.41
ALDH1A1 P00352 4/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
SLC6A1 P30531 1/20 0.36
CYP1A2 P05177 2/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 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
TP53 P04637 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

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
Hydrochloric Acid SCHEMBL4513858 0.99 HTR2C (0.41) HTR2CHTR2AALDH1A1TSHRHTT
SCHEMBL3837780 0.87 SIGMAR1 (0.38) ALDH1A1SLC6A1CYP1A2KMT2AKDM4E
SCHEMBL3841744 0.85 HPGD (0.38) ALDH1A1TSHRHTTSLC6A1CYP1A2
SCHEMBL3841799 0.84 SLC6A1 (0.37) ALDH1A1TSHRHTTSLC6A1CYP1A2
SCHEMBL3840170 0.83 KDM4E (0.35) ALDH1A1SLC6A1CYP1A2KMT2AKDM4E
SCHEMBL3842592 0.82 CHRM2 (0.46) CYP1A2LMNABLMPMP22CYP2D6
SCHEMBL3842579 0.78 KMT2A (0.36) ALDH1A1SLC6A1CYP1A2KMT2AMEN1
SCHEMBL3840223 0.77 HTR2C (0.41) HTR2CHTR2AALDH1A1TSHRHTT
SCHEMBL3867805 0.76 CA12 (0.37) ALDH1A1TSHRHTTPOLBKMT2A
SCHEMBL3842313 0.75 HTR7 (0.42) ALDH1A1TSHRPOLBKDM4EMAPK1

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 11 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
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 HTR2C 2387/4885HTR2A 798/4885ALDH1A1 1333/4885
US-20090258883-A1 1H-Indole-Pyridinecarboxamide and 1H-Indole-Piperidinecarboxamide Compounds IDO1, AHR, IDO2 HTR2C 35/4885HTR2A 30/4885ALDH1A1 370/4885

“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.