SCHEMBL6006753

SCHEMBL6006753

C[C@H]1[C@H](NC(=O)c2cc3cnccc3o2)C2CCN1CC2

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 18/20 0.58
CHRNA7 P36544 18/20 0.58
CHRNA4 P43681 18/20 0.58
KCNH2 Q12809 1/20 0.58
NAMPT P43490 1/20 0.46

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
SCHEMBL6007585 0.92 CHRNB2 (0.58) CHRNB2CHRNA7CHRNA4KCNH2NAMPT
SCHEMBL6008407 0.79 CHRNB2 (0.51) CHRNB2CHRNA7CHRNA4KCNH2
SCHEMBL7240051 0.79 CHRNB2 (0.51) CHRNB2CHRNA7CHRNA4KCNH2
SCHEMBL6008396 0.78 CHRNA7 (0.68) CHRNA7KCNH2
SCHEMBL6007311 0.78 CHRNA7 (0.68) CHRNA7KCNH2
SCHEMBL6009260 0.77 CHRNA7 (0.44) CHRNB2CHRNA7CHRNA4KCNH2
SCHEMBL6009276 0.77 CHRNA7 (0.44) CHRNB2CHRNA7CHRNA4KCNH2
SCHEMBL6758500 0.77 CHRNA7 (0.47) CHRNB2CHRNA7CHRNA4KCNH2
SCHEMBL6652599 0.77 CHRNA7 (0.47) CHRNB2CHRNA7CHRNA4KCNH2
SCHEMBL6008441 0.77 CHRNA7 (0.53) CHRNB2CHRNA7CHRNA4NAMPT

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 8 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
EP-1406901-A1 QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-04-14 EP claimed
US-20030045540-A1 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-03-06 US claimed
WO-2002100857-A1 QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2002-12-19 WO claimed
US-7067515-B2 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease PFIZER INC. (US) 2006-06-27 US disclosed
EP-1406901-A1 QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-04-14 EP disclosed
US-20030045540-A1 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-03-06 US disclosed
WO-2002100857-A1 QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2002-12-19 WO 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 CHRNB2 1185/4885CHRNA7 594/4885CHRNA4 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.