SCHEMBL6008614

SCHEMBL6008614

C[C@H]1[C@H](NC(=O)c2cc3sc(S(=O)(=O)c4ccccc4)cc3cn2)C2CCN1CC2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 12/20 0.43
CHRNB2 P17787 10/20 0.43
CHRNA4 P43681 10/20 0.43
HTR3A P46098 2/20 0.43
RIPK1 Q13546 1/20 0.37
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
PDE5A O76074 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE1C Q14123 1/20 0.34
PDE3A Q14432 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
SCHEMBL6007298 0.87 CHRNA7 (0.41) CHRNA7CHRNB2CHRNA4HTR3A
SCHEMBL6008210 0.82 CHRNA7 (0.52) CHRNA7HTR3A
SCHEMBL6009086 0.81 CHRNA7 (0.43) CHRNA7CHRNB2CHRNA4HTR3A
SCHEMBL6005285 0.81 CHRNA7 (0.42) CHRNA7CHRNB2CHRNA4HTR3A
SCHEMBL6008771 0.81 CHRNA7 (0.43) CHRNA7CHRNB2CHRNA4HTR3A
SCHEMBL6007183 0.81 CHRNA7 (0.43) CHRNA7CHRNB2CHRNA4HTR3A
SCHEMBL6009001 0.81 CHRNA7 (0.43) CHRNA7CHRNB2CHRNA4HTR3A
SCHEMBL6008636 0.80 CHRNA7 (0.42) CHRNA7CHRNB2CHRNA4HTR3A
SCHEMBL6008999 0.80 CHRNA7 (0.42) CHRNA7CHRNB2CHRNA4HTR3A
SCHEMBL6008711 0.80 CHRNA7 (0.42) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.