SCHEMBL5848685

SCHEMBL5848685

C(#CC1CCCN1)c1cncc(Oc2cccnc2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.42
CHRNB2 P17787 9/20 0.41
CHRNA4 P43681 9/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CHRNA7 P36544 3/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRND Q07001 1/20 0.40

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
SCHEMBL5848679 1.00 CYP19A1 (0.42) CYP19A1CHRNB2CHRNA4LMNATDP1
SCHEMBL5849142 1.00 CYP19A1 (0.42) CYP19A1CHRNB2CHRNA4LMNATDP1
SCHEMBL5849027 0.84 CHRNB2 (0.42) CHRNB2CHRNA4CHRNA7CHRNA3CHRNB4
SCHEMBL5850633 0.84 CHRNB2 (0.42) CHRNB2CHRNA4CHRNA7CHRNA3CHRNB4
SCHEMBL5849286 0.84 CHRNB4 (0.39) CHRNB2CHRNA4CHRNA3CHRNB4
SCHEMBL5849278 0.84 CHRNB4 (0.39) CHRNB2CHRNA4CHRNA3CHRNB4
SCHEMBL5849021 0.84 CHRNB2 (0.42) CHRNB2CHRNA4CHRNA7CHRNA3CHRNB4
SCHEMBL7695320 0.83 CHRNB2 (0.44) CHRNB2CHRNA4HRH3
SCHEMBL5848891 0.82 CHRNA3 (0.43) CHRNB2CHRNA4CHRNA3CHRNB4
SCHEMBL5848634 0.82 CHRNA3 (0.43) CHRNB2CHRNA4CHRNA3CHRNB4

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 CYP19A1 187/4885CHRNB2 723/4885CHRNA4 367/4885
US-20020058652-A1 Pharmaceutical compositions and methods for use CYP3A7, AADAC, CYP2B6 CYP19A1 187/4885CHRNB2 723/4885CHRNA4 367/4885

“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.