SCHEMBL6801468

SCHEMBL6801468

COc1ccc(C2CCCCCN2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
PDE4B Q07343 4/20 0.48
PDE4A P27815 4/20 0.48
PDE4C Q08493 3/20 0.48
PDE4D Q08499 3/20 0.48
NR3C1 P04150 1/20 0.45
KCNH2 Q12809 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
POLB P06746 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2A6 P11509 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL5796905 0.98 ALDH1A1 (0.51) ALDH1A1MEN1KMT2APDE4BPDE4A
Hydrochloric Acid SCHEMBL5796581 0.97 ALDH1A1 (0.50) ALDH1A1MEN1KMT2APDE4BPDE4A
SCHEMBL3141659 0.94 MEN1 (0.55) ALDH1A1MEN1KMT2APDE4BPDE4A
SCHEMBL2706692 0.85 KDM1A (0.50) ALDH1A1MEN1KMT2APDE4BPDE4A
SCHEMBL16610709 0.81 MEN1 (0.52) ALDH1A1MEN1KMT2APDE4BPDE4A
SCHEMBL31511045 0.79 MEN1 (0.47) ALDH1A1MEN1KMT2APDE4BPDE4A
SCHEMBL5929041 0.79 MEN1 (0.42) ALDH1A1MEN1KMT2APDE4BPDE4A
Hydrochloric Acid SCHEMBL27863937 0.79 KCNH2 (0.51) ALDH1A1MEN1KMT2APDE4BPDE4A
SCHEMBL8542490 0.79 MEN1 (0.53) ALDH1A1MEN1KMT2ACYP2D6CYP2C19
SCHEMBL4599631 0.79 MEN1 (0.53) ALDH1A1MEN1KMT2ACYP2D6CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020169156-A1 Azacyclooctane and heptane derivatives, their preparation and use in therapy NEUROSEARCH A/S 2002-11-14 US 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
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

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 ALDH1A1 838/4885MEN1 3141/4885KMT2A 2620/4885

“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.