SCHEMBL5849432

SCHEMBL5849432

CN1CCC[C@H]1CC#Cc1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.55
CHRNA3 P32297 6/20 0.55
CHRNB4 P30926 5/20 0.55
CHRNB1 P11230 4/20 0.55
CHRNB3 Q05901 4/20 0.55
CHRNA4 P43681 4/20 0.55
CHRNA7 P36544 3/20 0.55
CHRNA1 P02708 2/20 0.55
CYP2A6 P11509 5/20 0.48
ALDH1A1 P00352 2/20 0.48
CHRNA2 Q15822 2/20 0.48
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTR3E A5X5Y0 1/20 0.48
PSIP1 O75475 1/20 0.48
TRPA1 O75762 1/20 0.48
HTR3B O95264 1/20 0.48
CHRNG P07510 1/20 0.48
MAPT P10636 1/20 0.48
PTGS1 P23219 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
SCHEMBL5848892 1.00 CHRNB2 (0.55) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL5848889 1.00 CHRNB2 (0.55) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL5849835 0.77 CHRNB2 (0.51) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL5849833 0.77 CHRNB2 (0.51) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL12090225 0.73 CHRNB2 (0.62) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL5849374 0.73 CYP2A6 (0.49) CHRNB2CHRNA3CHRNB4CHRNA4CHRNA7
SCHEMBL5851296 0.73 CYP2A6 (0.49) CHRNB2CHRNA3CHRNB4CHRNA4CHRNA7
SCHEMBL5849372 0.73 CYP2A6 (0.49) CHRNB2CHRNA3CHRNB4CHRNA4CHRNA7
SCHEMBL7372710 0.71 CHRNB2 (1.00) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL29484629 0.71 CHRNB2 (1.00) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3

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-7101896-B2 Pharmaceutical compositions and methods for use TARGACEPT, INC. (US) 2006-09-05 US disclosed
US-20050267111-A1 Pharmaceutical compositions and methods for use DULL GARY M 2005-12-01 US disclosed
US-6890935-B2 Pharmaceutical compositions and methods for use TARGACEPT, INC. (US) 2005-05-10 US disclosed
US-20020058652-A1 Pharmaceutical compositions and methods for use TARGACEPT, INC. 2002-05-16 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 (2 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-20050267111-A1 Pharmaceutical compositions and methods for use CYP3A7, AADAC, CYP2B6 CHRNB2 723/4885CHRNA3 427/4885CHRNB4 652/4885
US-20020058652-A1 Pharmaceutical compositions and methods for use CYP3A7, AADAC, CYP2B6 CHRNB2 723/4885CHRNA3 427/4885CHRNB4 652/4885

“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.