SCHEMBL5849286

SCHEMBL5849286

Oc1ccc(Oc2cncc(C#CC3CCCN3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNB2 P17787 11/20 0.39
CHRNA4 P43681 11/20 0.39
CHRNA2 Q15822 1/20 0.38
RIPK1 Q13546 1/20 0.35

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
SCHEMBL5849278 1.00 CHRNB4 (0.39) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA2
SCHEMBL5848634 0.89 CHRNA3 (0.43) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA2
SCHEMBL5848891 0.89 CHRNA3 (0.43) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA2
SCHEMBL5850633 0.88 CHRNB2 (0.42) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA2
SCHEMBL5849027 0.88 CHRNB2 (0.42) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA2
SCHEMBL5849021 0.88 CHRNB2 (0.42) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA2
SCHEMBL5848679 0.84 CYP19A1 (0.42) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL5849142 0.84 CYP19A1 (0.42) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL5848685 0.84 CYP19A1 (0.42) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL7701750 0.82 CDK5 (0.36) CHRNB4CHRNA3CHRNB2CHRNA4

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 8 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 claimed
US-6890935-B2 Pharmaceutical compositions and methods for use TARGACEPT, INC. (US) 2005-05-10 US claimed
US-20020058652-A1 Pharmaceutical compositions and methods for use TARGACEPT, INC. 2002-05-16 US claimed
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
WO-2002088114-A2 HETEROARYL OFEFINIC AZACYCLIC AND HETEROARYL ACETYLENIC AZACYCLIC COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS TARGACEPT, INC. (US) 2002-11-07 WO 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 CHRNB4 652/4885CHRNA3 427/4885CHRNB2 723/4885
US-20020058652-A1 Pharmaceutical compositions and methods for use CYP3A7, AADAC, CYP2B6 CHRNB4 652/4885CHRNA3 427/4885CHRNB2 723/4885

“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.