SCHEMBL3832404

SCHEMBL3832404

c1cc2c(cn1)C1CNCC2C1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 9/20 0.57
CHRNA3 P32297 9/20 0.57
CHRNB2 P17787 13/20 0.48
CHRNA4 P43681 13/20 0.48
CHRNA1 P02708 3/20 0.48
CHRNG P07510 3/20 0.48
CHRNB1 P11230 3/20 0.48
CHRND Q07001 3/20 0.48
ESR1 P03372 1/20 0.48
CHRNA5 P30532 1/20 0.48
CHRNA7 P36544 1/20 0.48
HTR3A P46098 1/20 0.48
CHRNA2 Q15822 1/20 0.48

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
Hydrochloric Acid SCHEMBL4485760 0.98 CHRNB4 (0.55) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
Hydrochloric Acid SCHEMBL4824837 0.98 CHRNB4 (0.55) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
SCHEMBL10716565 0.81 CHRNB2 (0.37) CHRNB2CHRNA4CHRNA7
SCHEMBL5819444 0.78 CHRNB4 (0.50) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
SCHEMBL25300459 0.77 CCNB2 (0.33) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
SCHEMBL30527524 0.77 CCNB2 (0.33) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
SCHEMBL3831053 0.75 CHRNB2 (0.61) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL3832879 0.75 CHRNB2 (0.61) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL25306684 0.74 CHRNB2 (0.42) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
SCHEMBL31250389 0.74 CHRNB2 (0.42) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1

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-1648893-B1 NICOTINE ADDICTION REDUCING HETEROARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PROD INC (US) 2009-09-23 EP claimed
US-20050020830-A1 Heteroaryl fused azapolycyclic compounds which bind to neuronal nicotinic acetylcholine specific receptor sites, and which are useful in modulating cholinergic function, for for reducing nicotine addiction or aiding in the cessation or lessening of tobacco use in a mammal, therapy PFIZER INC 2005-01-27 US claimed
EP-1648893-B1 NICOTINE ADDICTION REDUCING HETEROARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PROD INC (US) 2009-09-23 EP disclosed
EP-1648893-B1 NICOTINE ADDICTION REDUCING HETEROARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PROD INC (US) 2009-09-23 EP disclosed
US-7456177-B2 Heteroaryl fused azapolycyclic compounds which bind to neuronal nicotinic acetylcholine specific receptor sites, and which are useful in modulating cholinergic function, for for reducing nicotine addiction or aiding in the cessation or lessening of tobacco use in a mammal, therapy PFIZER INC. (US) 2008-11-25 US disclosed
US-7456177-B2 Heteroaryl fused azapolycyclic compounds which bind to neuronal nicotinic acetylcholine specific receptor sites, and which are useful in modulating cholinergic function, for for reducing nicotine addiction or aiding in the cessation or lessening of tobacco use in a mammal, therapy PFIZER INC. (US) 2008-11-25 US disclosed
US-7456177-B2 Heteroaryl fused azapolycyclic compounds which bind to neuronal nicotinic acetylcholine specific receptor sites, and which are useful in modulating cholinergic function, for for reducing nicotine addiction or aiding in the cessation or lessening of tobacco use in a mammal, therapy PFIZER INC. (US) 2008-11-25 US disclosed
EP-1648893-A1 NICOTINE ADDICTION REDUCING HETEROARYL FUSED AZAPOLYCYCLIC COMPOUNDS Pfizer Products Inc. (US) 2006-04-26 EP disclosed
WO-2005007655-A1 NICOTINE ADDICTION REDUCING HETEROARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2005-01-27 WO disclosed
US-20050020830-A1 Heteroaryl fused azapolycyclic compounds which bind to neuronal nicotinic acetylcholine specific receptor sites, and which are useful in modulating cholinergic function, for for reducing nicotine addiction or aiding in the cessation or lessening of tobacco use in a mammal, therapy PFIZER INC 2005-01-27 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-20050020830-A1 Heteroaryl fused azapolycyclic compounds which bind to neuronal nicotinic acetylcholine specific receptor sites, and which are useful in modulating cholinergic function, for for reducing nicotine addiction or aiding in the cessation or lessening of tobacco use in a mammal, therapy CHRNA2, CHRNA3, CHRNB2 CHRNB4 15/4885CHRNA3 2/4885CHRNB2 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.