SCHEMBL6007797

SCHEMBL6007797

C[C@H]1[C@H](NC(=O)c2cc3sc(C#N)cc3cn2)C2CCN1CC2

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 14/20 0.41
CHRNB2 P17787 5/20 0.41
CHRNA4 P43681 5/20 0.41
HTR3A P46098 4/20 0.41
USP30 Q70CQ3 1/20 0.36
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
HSD11B1 P28845 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
SCHEMBL6008600 0.90 CHRNA7 (0.41) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL6008911 0.89 CHRNA7 (0.40) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL6009172 0.88 CHRNA7 (0.39) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL6008914 0.87 CHRNA7 (0.39) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL6009015 0.87 CHRNA7 (0.40) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL6006609 0.86 CHRNA7 (0.38) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL6007183 0.86 CHRNA7 (0.43) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL6008771 0.86 CHRNA7 (0.43) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL6008467 0.85 CHRNA7 (0.41) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL6008999 0.85 CHRNA7 (0.42) CHRNA7CHRNB2CHRNA4HTR3AHTR3E

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 594/4885CHRNB2 1185/4885CHRNA4 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.