SCHEMBL2677508

SCHEMBL2677508

COc1ccccc1-c1ccc(N2CC3CCCC(C2)N3C)nn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.58
HPGD P15428 3/20 0.53
TP53 P04637 3/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
MAPK1 P28482 1/20 0.53
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.48
TSHR P16473 2/20 0.48
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
CHRNA7 P36544 2/20 0.41
PDE10A Q9Y233 2/20 0.41

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
SCHEMBL3391068 0.95 CNR2 (0.60) CNR2HPGDTP53MEN1MAPT
SCHEMBL2677132 0.90 CNR2 (0.46) CNR2HPGDTP53MEN1MAPT
SCHEMBL2678055 0.83 IL4I1 (0.46) CNR2CHRNA7PDE10AHTR3ACHRNB4
SCHEMBL2677926 0.80 TP53 (0.43) HPGDTP53MEN1MAPTKMT2A
SCHEMBL2676639 0.80 CHRNA7 (0.64) CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL4127946 0.79 CNR2 (0.58) CNR2HPGDTP53MEN1MAPT
SCHEMBL2678699 0.79 CNR2 (0.39) CNR2CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL2676801 0.78 CHRNA7 (0.46) TP53MEN1MAPTKMT2ARAB9A
SCHEMBL29017783 0.78 CNR2 (0.60) CNR2HPGDTP53MEN1MAPT
SCHEMBL3389708 0.78 CHRNA7 (0.45) CNR2CHRNA7PDE10AHTR3ACHRNB4

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 59/4885HPGD 430/4885TP53 3708/4885

“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.