SCHEMBL6008593

SCHEMBL6008593

C[C@H]1[C@H](NC(=O)c2cc3c(C(F)(F)F)coc3cn2)C2CCN1CC2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 17/20 0.39
HTR3A P46098 4/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
CHRNB2 P17787 10/20 0.36
CHRNA4 P43681 10/20 0.36
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL6007726 0.87 CHRNA7 (0.41) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6009201 0.87 CHRNA7 (0.41) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6008691 0.87 CHRNA7 (0.40) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5917899 0.86 CHRNA7 (0.41) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6009133 0.85 CHRNA7 (0.37) CHRNA7HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL6007838 0.85 CHRNA7 (0.41) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5917848 0.85 CHRNA7 (0.41) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6008481 0.85 CHRNA7 (0.41) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6008851 0.85 CHRNA7 (0.43) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6006608 0.84 CHRNA7 (0.40) CHRNA7HTR3AHTR3EHTR3BHTR3D

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 CHRNA7 594/4885HTR3A 971/4885HTR3E 1472/4885

“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.