SCHEMBL6801148

SCHEMBL6801148

c1cncc(C2CCCCCN2)c1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 10/20 0.97
CHRNA4 P43681 10/20 0.97
CHRNA7 P36544 8/20 0.97
CYP2A6 P11509 3/20 0.97
MEN1 O00255 2/20 0.97
CYP2D6 P10635 2/20 0.97
CYP2C19 P33261 2/20 0.97
KMT2A Q03164 2/20 0.97
POLB P06746 1/20 0.97
SMN1; SMN2 Q16637 1/20 0.97
CYP1A2 P05177 1/20 0.97
CYP2C9 P11712 1/20 0.97
CYP11B2 P19099 1/20 0.61
AURKA O14965 1/20 0.46
ALDH1A1 P00352 2/20 0.44
CHRNB4 P30926 2/20 0.44
CHRNA3 P32297 2/20 0.44
CHRNA2 Q15822 2/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL9673965 1.00 CHRNB2 (0.97) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
SCHEMBL9673975 1.00 CHRNB2 (0.97) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
Dl-Anabasine SCHEMBL15740333 0.98 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
Anabasine SCHEMBL29634446 0.98 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
Dl-Anabasine SCHEMBL30835558 0.98 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
Anabasine SCHEMBL3465120 0.98 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
Dl-Anabasine SCHEMBL117530 0.98 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
Anabasine SCHEMBL29421176 0.97 CHRNB2 (0.97) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
Dl-Anabasine SCHEMBL1004341 0.97 CHRNB2 (0.97) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
Dl-Anabasine SCHEMBL7194509 0.97 CHRNB2 (0.97) CHRNB2CHRNA4CHRNA7CYP2A6MEN1

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
US-20020169156-A1 Azacyclooctane and heptane derivatives, their preparation and use in therapy NEUROSEARCH A/S 2002-11-14 US claimed
WO-2016081369-A2 ALKALOID COMPOUNDS FOR TREATING DEPRESSION, SUBSTANCE ADDICTIONS, AND INDICATIONS ASSOCIATED WITH CHRONIC INFLAMMATION SRQ PATENT HOLDINGS, LLC (US) 2016-05-26 WO disclosed
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
US-5138062-A Tranquilizers PHILIP MORRIS INCORPORATED 1992-08-11 US disclosed
US-5015741-A Insecticides, aphidicides, psychological disorders, sedatives or tranquilizers PHILIP MORRIS INCORPORATED (US) 1991-05-14 US disclosed
EP-0421762-A1 Novel nicotine analogs and method Philip Morris Products Inc. (US) 1991-04-10 EP 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 CHRNB2 17/4885CHRNA4 19/4885CHRNA7 5/4885

“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.