SCHEMBL3830302

SCHEMBL3830302

CN1CCC=C(C(=O)Nn2ccc3cc(F)ccc32)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.42
CHRM4 P08173 2/20 0.42
CHRM5 P08912 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
LMNA P02545 2/20 0.42
THRB P10828 1/20 0.42
BLM P54132 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
CYP2D6 P10635 3/20 0.37
HTR6 P50406 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP1A2 P05177 1/20 0.37
NFKB1 P19838 1/20 0.37
THPO P40225 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
PMP22 Q01453 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
SCHEMBL3840185 0.86 THRB (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3842803 0.84 LMNA (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3842592 0.83 CHRM2 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3837840 0.74 HTR7 (0.44) CYP2D6HTR6POLBKDM4EALDH1A1
SCHEMBL3837780 0.73 SIGMAR1 (0.38) LMNABLMCYP2D6HTR6CYP2C9
SCHEMBL3837835 0.70 HTR2C (0.41) LMNABLMCYP2D6HTR6CYP2C9
Hydrochloric Acid SCHEMBL4513858 0.69 HTR2C (0.41) LMNABLMCYP2D6HTR6CYP2C9
SCHEMBL3841744 0.69 HPGD (0.38) LMNABLMCYP2D6HTR6CYP2C9
SCHEMBL3867805 0.68 CA12 (0.37) LMNATHRBHTR6POLBKDM4E
SCHEMBL3841799 0.68 SLC6A1 (0.37) LMNABLMCYP2D6HTR6CYP2C9

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 9 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
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 claimed
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 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 CHRM2 977/4885CHRM4 1178/4885CHRM5 1150/4885
US-20090258883-A1 1H-Indole-Pyridinecarboxamide and 1H-Indole-Piperidinecarboxamide Compounds IDO1, AHR, IDO2 CHRM2 314/4885CHRM4 900/4885CHRM5 650/4885

“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.