SCHEMBL6807728

SCHEMBL6807728

c1cncc(/C2=N/CCCCCC2)c1

nearest known ligand 0.96

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 10/20 0.96
CHRNA3 P32297 10/20 0.96
ALDH1A1 P00352 2/20 0.86
CYP1A2 P05177 2/20 0.86
THRB P10828 1/20 0.86
CYP2C19 P33261 1/20 0.86
CHRNA7 P36544 2/20 0.61
CYP3A4 P08684 1/20 0.48
CYP2A6 P11509 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
NISCH Q9Y2I1 1/20 0.46

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
SCHEMBL6807730 1.00 CHRNB4 (0.96) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL6807223 1.00 CHRNB4 (0.96) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
Anabaseine SCHEMBL261062 0.98 CHRNB4 (1.00) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
Anabaseine SCHEMBL30394330 0.98 CHRNB4 (1.00) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
Myosmine SCHEMBL29398376 0.93 ALDH1A1 (1.00) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
Myosmine SCHEMBL5319476 0.93 ALDH1A1 (1.00) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL6797483 0.79 CHRNB4 (0.96) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL895500 0.77 CHRNB4 (1.00) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL9481812 0.75 CYP2A6 (0.58) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL3161806 0.74

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-0984943-B1 AZACYCLOOCTANE AND HEPTANE DERIVATIVES, THEIR PREPARATION AND USEIN THERAPY NEUROSEARCH AS (DK) 2002-12-11 EP claimed
EP-0984943-A1 AZACYCLOOCTANE AND HEPTANE DERIVATIVES, THEIR PREPARATION AND USEIN THERAPY NEUROSEARCH A/S (DK) 2000-03-15 EP claimed
WO-1998054152-A1 AZACYCLOOCTANE AND HEPTANE DERIVATIVES, THEIR PREPARATION AND USEIN THERAPY NEUROSEARCH A/S (DK) 1998-12-03 WO claimed
US-6680314-B2 USEFUL FOR THE TREATMENT OF DISEASES INVOLVING THE CHOLINERGIC SYSTEM OF THE CENTRAL NERVOUS SYSTEM, PAIN, INFLAMMATORY DISEASES, DISEASES CAUSED BY SMOOTH MUSCLE CONTRACTIONS, LEARNING DEFICIT, COGNITION DEFICIT, ATTENTION DEFICIT NEUROSEARCH A/S (DK) 2004-01-20 US disclosed
EP-0984943-B1 AZACYCLOOCTANE AND HEPTANE DERIVATIVES, THEIR PREPARATION AND USEIN THERAPY NEUROSEARCH AS (DK) 2002-12-11 EP disclosed
US-20020169156-A1 Azacyclooctane and heptane derivatives, their preparation and use in therapy NEUROSEARCH A/S 2002-11-14 US disclosed
US-6420395-B1 DISORDERS OR DISEASES INVOLVING THE CHOLINERGIC SYSTEM OF THE CENTRAL NERVOUS SYSTEM, PAIN, INFLAMMATORY DISEASES, DISEASES CAUSED BY SMOOTH MUSCLE CONTRACTIONS AND AS ASSISTANCE IN THE CESSATION OF CHEMICAL SUBSTANCE ABUSE. NEUROSEARCH A/S (DK) 2002-07-16 US disclosed
EP-0984943-A1 AZACYCLOOCTANE AND HEPTANE DERIVATIVES, THEIR PREPARATION AND USEIN THERAPY NEUROSEARCH A/S (DK) 2000-03-15 EP disclosed
WO-1998054152-A1 AZACYCLOOCTANE AND HEPTANE DERIVATIVES, THEIR PREPARATION AND USEIN THERAPY NEUROSEARCH A/S (DK) 1998-12-03 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-20020169156-A1 Azacyclooctane and heptane derivatives, their preparation and use in therapy CHRNA1, CHRNB1, CHRNA3 CHRNB4 31/4885CHRNA3 3/4885ALDH1A1 838/4885

“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.