SCHEMBL2677658

SCHEMBL2677658

CN1C2CCCC1CN(c1ccc(-c3cc4ccccc4s3)nn1)C2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.43
FAAH O00519 6/20 0.40
CHRNA7 P36544 2/20 0.39
HTR3A P46098 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
KDM1A O60341 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KLF5 Q13887 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
PFKFB3 Q16875 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
SCHEMBL2677278 0.79 RAB9A (0.39) FAAHCHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL2677215 0.78 CHRNA7 (0.47) KCNH2CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL2676493 0.78 NPC1 (0.62) CHRNA7HTR3ACHRNB4CHRNA3NPC1
SCHEMBL2676639 0.77 CHRNA7 (0.64) CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL1449712 0.76 CHRNA7 (0.47) KCNH2CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL2677280 0.76 CNR2 (0.61) FAAHCHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL1449914 0.75 NPC1 (0.62) CHRNA7HTR3ACHRNB4CHRNA3NPC1
SCHEMBL1449402 0.74 CHRNA7 (0.64) CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL5832693 0.74 KDM1A (0.47) FAAHKDM1ACHRM2CHRM4CHRM5
SCHEMBL1449396 0.73 CNR2 (0.61) FAAHCHRNA7HTR3ACHRNB4CHRNA3

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 6 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
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

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 KCNH2 1859/4885FAAH 560/4885CHRNA7 6/4885

“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.