SCHEMBL2677282

SCHEMBL2677282

CN1C2CCCC1CN(c1nnccc1-c1cc3ccccc3o1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.44
VCP P55072 1/20 0.40
CNR2 P34972 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
NPY5R Q15761 1/20 0.37
NPC1 O15118 2/20 0.36
HPGD P15428 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
HTR2C P28335 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL1449397 0.98 FAAH (0.45) FAAHVCPCNR2MAOAMAOB
SCHEMBL928528 0.84 HPGD (0.41) FAAHVCPCNR2MAOAMAOB
SCHEMBL2677280 0.76 CNR2 (0.61) FAAHVCPCNR2NPC1HPGD
Trifluoroacetic Acid SCHEMBL1793368 0.75 SMN1; SMN2 (0.37) FAAHMAOAMAOBNPC1HPGD
SCHEMBL2677219 0.75 FAAH (0.46) FAAHCNR2NPC1HPGDRAB9A
SCHEMBL1449396 0.74 CNR2 (0.61) FAAHVCPCNR2NPC1HPGD
SCHEMBL2677660 0.71 RAB9A (0.36) NPC1RAB9ASMN1; SMN2LMNAKDM4E
Benzene SCHEMBL1449616 0.65
SCHEMBL61411 0.65 MAOB (0.71) MAOAMAOBNPC1HPGDRAB9A
SCHEMBL12854020 0.65 MAOB (0.71) MAOAMAOBNPC1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173658-B2 Diagnosis test; mixing blood or other fluid sample with test compound; analyzing, calibration; central nervous system disorders; analgesics; antiinflamamtory agents; drug abuse; anxiolytic agents; cognition activators;Alzheimer's disease; Parkinson's disease; Huntington's disease; hyperactivity NEUROSEARCH A/S (DK) 2012-05-08 US claimed
EP-2246352-A1 Novel diazabicyclic aryl derivatives and their medical use NeuroSearch AS (DK) 2010-11-03 EP claimed
US-20080280912-A1 Diagnosis test; mixing blood or other fluid sample with test compound; analyzing, calibration; central nervous system disorders; analgesics; antiinflamamtory agents; drug abuse; anxiolytic agents; cognition activators;Alzheimer's disease; Parkinson's disease; Huntington's disease; hyperactivity NEUROSEARCH A/S 2008-11-13 US claimed
EP-1963323-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2008-09-03 EP claimed
WO-2007065892-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2007-06-14 WO claimed
US-8173658-B2 Diagnosis test; mixing blood or other fluid sample with test compound; analyzing, calibration; central nervous system disorders; analgesics; antiinflamamtory agents; drug abuse; anxiolytic agents; cognition activators;Alzheimer's disease; Parkinson's disease; Huntington's disease; hyperactivity NEUROSEARCH A/S (DK) 2012-05-08 US disclosed
EP-2246352-A1 Novel diazabicyclic aryl derivatives and their medical use NeuroSearch AS (DK) 2010-11-03 EP disclosed
US-20080280912-A1 Diagnosis test; mixing blood or other fluid sample with test compound; analyzing, calibration; central nervous system disorders; analgesics; antiinflamamtory agents; drug abuse; anxiolytic agents; cognition activators;Alzheimer's disease; Parkinson's disease; Huntington's disease; hyperactivity NEUROSEARCH A/S 2008-11-13 US disclosed
EP-1963323-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2008-09-03 EP disclosed
WO-2007065892-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2007-06-14 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 (1 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-20080280912-A1 Diagnosis test; mixing blood or other fluid sample with test compound; analyzing, calibration; central nervous system disorders; analgesics; antiinflamamtory agents; drug abuse; anxiolytic agents; cognition activators;Alzheimer's disease; Parkinson's disease; Huntington's disease; hyperactivity ACHE, CHRNA6, CHRNA10 FAAH 560/4885VCP 1528/4885CNR2 59/4885

“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.