SCHEMBL5938457

SCHEMBL5938457

COc1cncc(C2=CC3CNCC3C2)c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 15/20 0.63
CHRNA4 P43681 15/20 0.63
CHRNB4 P30926 15/20 0.63
CHRNA3 P32297 15/20 0.63
CHRNA7 P36544 12/20 0.63
CHRNB3 Q05901 2/20 0.47
CHRNA6 Q15825 2/20 0.47
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39

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
SCHEMBL5938449 1.00 CHRNB2 (0.63) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5938442 1.00 CHRNB2 (0.63) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL5939647 0.99 CHRNB2 (0.62) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL5939653 0.99 CHRNB2 (0.62) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL5939661 0.99 CHRNB2 (0.62) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5940246 0.90 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5940251 0.90 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5940077 0.88 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5940074 0.88 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5938253 0.86 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060287290-A1 Azabicyclic compounds are central nervous system active agents DART MICHAEL J 2006-12-21 US claimed
US-7135484-B2 Azabicyclic compounds are central nervous system active agents ABBOTT LABORATORIES (US) 2006-11-14 US claimed
EP-1539733-A2 AZABICYCLIC COMPOUNDS ARE CENTRAL NERVOUS SYSTEM ACTIVE AGENTS Abbott Laboratories (US) 2005-06-15 EP claimed
US-20040152724-A1 Azabicyclic compounds are central nervous system active agents ABBVIE INC. 2004-08-05 US claimed
US-20040044029-A1 Azabicyclic compounds are central nervous system active agents ABBOTT LABORATORIES 2004-03-04 US claimed
WO-2004016604-A2 AZABICYCLIC COMPOUNDS ARE CENTRAL NERVOUS SYSTEM ACTIVE AGENTS ABBOTT LABORATORIES (US) 2004-02-26 WO claimed
US-20060287290-A1 Azabicyclic compounds are central nervous system active agents DART MICHAEL J 2006-12-21 US disclosed
US-7135484-B2 Azabicyclic compounds are central nervous system active agents ABBOTT LABORATORIES (US) 2006-11-14 US disclosed
EP-1539733-A2 AZABICYCLIC COMPOUNDS ARE CENTRAL NERVOUS SYSTEM ACTIVE AGENTS Abbott Laboratories (US) 2005-06-15 EP disclosed
US-20040152724-A1 Azabicyclic compounds are central nervous system active agents ABBVIE INC. 2004-08-05 US disclosed
US-20040044029-A1 Azabicyclic compounds are central nervous system active agents ABBOTT LABORATORIES 2004-03-04 US disclosed
WO-2004016604-A2 AZABICYCLIC COMPOUNDS ARE CENTRAL NERVOUS SYSTEM ACTIVE AGENTS ABBOTT LABORATORIES (US) 2004-02-26 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 (3 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-20040152724-A1 Azabicyclic compounds are central nervous system active agents ACHE, CHRNA6, CHRNA2 CHRNB2 10/4885CHRNA4 9/4885CHRNB4 13/4885
US-20040044029-A1 Azabicyclic compounds are central nervous system active agents ACHE, CHRNA6, CHRNA2 CHRNB2 10/4885CHRNA4 9/4885CHRNB4 13/4885
US-20060287290-A1 Azabicyclic compounds are central nervous system active agents ACHE, CHAT, CHRNA6 CHRNB2 8/4885CHRNA4 9/4885CHRNB4 11/4885

“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.