SCHEMBL5849374

SCHEMBL5849374

C(#Cc1cccnc1)C[C@H]1CCCN1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.49
CYP2C19 P33261 5/20 0.49
CYP2C9 P11712 4/20 0.49
CYP2D6 P10635 4/20 0.49
CYP2B6 P20813 3/20 0.49
CYP2E1 P05181 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP1A2 P05177 2/20 0.48
CYP2C8 P10632 1/20 0.48
CHRNB2 P17787 7/20 0.47
CHRNA4 P43681 7/20 0.47
CHRNA7 P36544 2/20 0.47
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 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
SCHEMBL5851296 1.00 CYP2A6 (0.49) CYP2A6CYP2C19CYP2C9CYP2D6CYP2B6
SCHEMBL5849372 1.00 CYP2A6 (0.49) CYP2A6CYP2C19CYP2C9CYP2D6CYP2B6
SCHEMBL5849240 0.78 CHRNB2 (0.50) CYP2A6CYP2C19CYP2C9CYP2D6CYP2B6
SCHEMBL5848978 0.78 CHRNB2 (0.50) CYP2A6CYP2C19CYP2C9CYP2D6CYP2B6
SCHEMBL5848983 0.78 CHRNB2 (0.50) CYP2A6CYP2C19CYP2C9CYP2D6CYP2B6
SCHEMBL27639460 0.74 LTA4H (0.35) POLB
SCHEMBL27639483 0.74 HTR6 (0.36) CHRNB2CHRNA4POLBCHRNB4CHRNA3
SCHEMBL5848892 0.73 CHRNB2 (0.55) CYP2A6CYP2C19CYP2C9CYP2D6CYP2B6
SCHEMBL5848889 0.73 CHRNB2 (0.55) CYP2A6CYP2C19CYP2C9CYP2D6CYP2B6
SCHEMBL5849432 0.73 CHRNB2 (0.55) CYP2A6CYP2C19CYP2C9CYP2D6CYP2B6

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 CYP2A6 7/4885CYP2C19 9/4885CYP2C9 15/4885
US-20020058652-A1 Pharmaceutical compositions and methods for use CYP3A7, AADAC, CYP2B6 CYP2A6 7/4885CYP2C19 9/4885CYP2C9 15/4885

“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.