SCHEMBL6007740

SCHEMBL6007740

COC(=O)c1csc2cnc(C(=O)N[C@@H]3C4CCN(CC4)[C@H]3C)cc12

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 13/20 0.37
HTR3A P46098 3/20 0.37
CHRNB2 P17787 8/20 0.36
CHRNA4 P43681 8/20 0.36
PTK2 Q05397 1/20 0.32
MAP3K7 O43318 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL6008815 0.92 CHRNA7 (0.35) CHRNA7HTR3ACHRNB2CHRNA4OPRK1
SCHEMBL6008486 0.90 CHRNA7 (0.38) CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL6008809 0.90 CHRNA7 (0.38) CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL6007439 0.89 HRH3 (0.39) CHRNA7HTR3ACHRNB2CHRNA4MAP3K7
SCHEMBL6007733 0.88 CHRNA7 (0.34) CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL6009239 0.87 CHRNA7 (0.38) CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL6007791 0.87 HRH3 (0.41) CHRNA7HTR3ACHRNB2CHRNA4MAP3K7
SCHEMBL6008794 0.87 HRH3 (0.39) CHRNA7HTR3ACHRNB2CHRNA4MAP3K7
SCHEMBL6008924 0.86 CHRNA7 (0.39) CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL6007672 0.86 CHRNA7 (0.39) CHRNA7HTR3ACHRNB2CHRNA4

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 971/4885CHRNB2 1185/4885

“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.