SCHEMBL6007579

SCHEMBL6007579

C[C@H]1[C@H](NC(=O)c2cc3oc(C(=O)OCC(F)(F)F)cc3cn2)C2CCN1CC2

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 16/20 0.40
CHRNA7 P36544 16/20 0.40
CHRNA4 P43681 16/20 0.40
HTR3A P46098 1/20 0.40
KCNH2 Q12809 1/20 0.38
CNR2 P34972 2/20 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
SCHEMBL6006543 0.88 CHRNA7 (0.42) CHRNB2CHRNA7CHRNA4HTR3AKCNH2
SCHEMBL6007502 0.86 CHRNA7 (0.41) CHRNB2CHRNA7CHRNA4HTR3AKCNH2
SCHEMBL6008628 0.85 CHRNA7 (0.41) CHRNB2CHRNA7CHRNA4HTR3AKCNH2
SCHEMBL6006739 0.84 CHRNA7 (0.41) CHRNB2CHRNA7CHRNA4HTR3AKCNH2
SCHEMBL6009276 0.84 CHRNA7 (0.44) CHRNB2CHRNA7CHRNA4HTR3AKCNH2
SCHEMBL6009260 0.84 CHRNA7 (0.44) CHRNB2CHRNA7CHRNA4HTR3AKCNH2
SCHEMBL6008395 0.83 CHRNA7 (0.52) CHRNA7HTR3AKCNH2
SCHEMBL6009210 0.82 CHRNA7 (0.42) CHRNB2CHRNA7CHRNA4HTR3AKCNH2
SCHEMBL6009188 0.81 CHRNA7 (0.38) CHRNB2CHRNA7CHRNA4HTR3ACNR2
SCHEMBL6006324 0.81 CHRNA7 (0.42) CHRNB2CHRNA7CHRNA4HTR3AKCNH2

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-7067515-B2 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease PFIZER INC. (US) 2006-06-27 US claimed
US-20030045540-A1 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-03-06 US claimed
US-7067515-B2 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease PFIZER INC. (US) 2006-06-27 US disclosed
US-20030045540-A1 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-03-06 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 (1 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-20030045540-A1 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease NQO2, SLC10A1, CYP7A1 CHRNB2 1185/4885CHRNA7 594/4885CHRNA4 1450/4885

“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.