SCHEMBL2678699

SCHEMBL2678699

CN1C2CCCC1CN(c1ccc(-c3cccc(F)c3F)nn1)C2

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.39
CHRNA7 P36544 3/20 0.39
HTR3A P46098 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
SCD O00767 2/20 0.39
IL4I1 Q96RQ9 1/20 0.38
CNR1 P21554 1/20 0.37
MAP4K1 Q92918 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
SCHEMBL2678055 0.90 IL4I1 (0.46) CNR2CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL3389708 0.85 CHRNA7 (0.45) CNR2CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL2677060 0.79 CHRNA7 (0.47) CHRNA7HTR3ACHRNB4CHRNA3SCD
SCHEMBL2677508 0.79 CNR2 (0.58) CNR2CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL2677132 0.78 CNR2 (0.46) CNR2CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL2678166 0.78 SCD (0.48) CHRNA7HTR3ACHRNB4CHRNA3SCD
SCHEMBL4130940 0.77 CNR2 (0.45) CNR2SCDIL4I1
SCHEMBL2676639 0.77 CHRNA7 (0.64) CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL2677567 0.77 CHRNA7 (0.43) CHRNA7HTR3ACHRNB4CHRNA3SCD
SCHEMBL3390610 0.75 CNR2 (0.56) CNR2CHRNA7HTR3ACHRNB4CHRNA3

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 CNR2 59/4885CHRNA7 6/4885HTR3A 47/4885

“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.