SCHEMBL6796957

SCHEMBL6796957

c1ccc2ncc(/C3=N/CCCCCC3)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.54
CHRNB4 P30926 10/20 0.53
CHRNA3 P32297 10/20 0.53
NISCH Q9Y2I1 1/20 0.51
PDGFRB P09619 2/20 0.47
PDGFRA P16234 2/20 0.47
CYP2A6 P11509 1/20 0.45
BIRC5 O15392 1/20 0.44
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CYP1A2 P05177 1/20 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
SCHEMBL6796961 1.00 CHRNA7 (0.54) CHRNA7CHRNB4CHRNA3NISCHPDGFRB
SCHEMBL12363751 0.79 NPC1 (0.59) CHRNA7CHRNB4CHRNA3CYP1A2
SCHEMBL2772360 0.74 PDGFRB (0.77) NISCHPDGFRBPDGFRACYP2A6BIRC5
SCHEMBL32667946 0.74 PDGFRB (0.77) NISCHPDGFRBPDGFRACYP2A6BIRC5
SCHEMBL27523215 0.73 PDGFRB (0.59) NISCHPDGFRBPDGFRACYP2A6BIRC5
SCHEMBL6797483 0.73 CHRNB4 (0.96) CHRNA7CHRNB4CHRNA3NISCHCYP1A2
SCHEMBL7011935 0.72 NISCH (0.83) NISCHPDGFRBPDGFRACYP2A6BIRC5
SCHEMBL31635714 0.71 NISCH (0.49) NISCHPDGFRBPDGFRACYP2A6BIRC5
SCHEMBL19473771 0.71 TDP2 (0.56) NISCHPDGFRBPDGFRACYP2A6BIRC5
SCHEMBL895500 0.70 CHRNB4 (1.00) CHRNA7CHRNB4CHRNA3NISCHCYP1A2

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
EP-0984943-B1 AZACYCLOOCTANE AND HEPTANE DERIVATIVES, THEIR PREPARATION AND USEIN THERAPY NEUROSEARCH AS (DK) 2002-12-11 EP claimed
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 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 CHRNA7 5/4885CHRNB4 31/4885CHRNA3 3/4885

“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.