SCHEMBL6008919

SCHEMBL6008919

C[C@H]1[C@H](NC(=O)c2cc3sc(N4CCCCC4)cc3cn2)C2CCN1CC2

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 10/20 0.40
CHRNB2 P17787 4/20 0.40
CHRNA4 P43681 4/20 0.40
HTR3A P46098 3/20 0.40
HRH3 Q9Y5N1 2/20 0.36
CNR2 P34972 1/20 0.34
HSD11B1 P28845 1/20 0.34
ACKR3 P25106 1/20 0.34

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
SCHEMBL6007556 0.99 CHRNA7 (0.41) CHRNA7CHRNB2CHRNA4HTR3AHRH3
SCHEMBL6007138 0.91 CHRNA7 (0.40) CHRNA7CHRNB2CHRNA4HTR3A
SCHEMBL6008876 0.91 CHRNA7 (0.40) CHRNA7CHRNB2CHRNA4HTR3A
SCHEMBL6008980 0.91 CHRNA7 (0.39) CHRNA7CHRNB2CHRNA4HTR3A
SCHEMBL6007518 0.91 CHRNA7 (0.39) CHRNA7CHRNB2CHRNA4HTR3ACNR2
SCHEMBL6009265 0.86 CHRNA7 (0.44) CHRNA7CHRNB2CHRNA4HTR3A
SCHEMBL6008690 0.86 CHRNA7 (0.38) CHRNA7CHRNB2CHRNA4HTR3AHRH3
SCHEMBL6008867 0.86 CHRNA7 (0.38) CHRNA7CHRNB2CHRNA4HTR3A
SCHEMBL6005963 0.86 CHRNA7 (0.39) CHRNA7CHRNB2CHRNA4HTR3A
SCHEMBL6007183 0.85 CHRNA7 (0.43) CHRNA7CHRNB2CHRNA4HTR3A

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.