SCHEMBL5850633

SCHEMBL5850633

COc1ccc(Oc2cncc(C#C[C@H]3CCCN3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 12/20 0.42
CHRNA4 P43681 12/20 0.42
GRM5 P41594 1/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA7 P36544 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRNA2 Q15822 1/20 0.36

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
SCHEMBL5849027 1.00 CHRNB2 (0.42) CHRNB2CHRNA4GRM5CHRNB4CHRNA3
SCHEMBL5849021 1.00 CHRNB2 (0.42) CHRNB2CHRNA4GRM5CHRNB4CHRNA3
SCHEMBL5849286 0.88 CHRNB4 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA2
SCHEMBL5849278 0.88 CHRNB4 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA2
SCHEMBL7689822 0.86 GRM5 (0.47) CHRNB2CHRNA4GRM5CHRNB4CHRNA3
SCHEMBL7689824 0.86 GRM5 (0.47) CHRNB2CHRNA4GRM5CHRNB4CHRNA3
SCHEMBL5848685 0.84 CYP19A1 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5848679 0.84 CYP19A1 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5849142 0.84 CYP19A1 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5848891 0.82 CHRNA3 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA2

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 723/4885CHRNA4 367/4885GRM5 2135/4885
US-20020058652-A1 Pharmaceutical compositions and methods for use CYP3A7, AADAC, CYP2B6 CHRNB2 723/4885CHRNA4 367/4885GRM5 2135/4885

“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.