SCHEMBL6008407

SCHEMBL6008407

C[C@H]1[C@H](NC(=O)c2cc3cccnc3o2)C2CCN1CC2

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 19/20 0.51
CHRNA4 P43681 19/20 0.51
CHRNA7 P36544 18/20 0.51
KCNH2 Q12809 1/20 0.51
HTR3A P46098 1/20 0.43

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
SCHEMBL7240051 0.83 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA7KCNH2
SCHEMBL6849376 0.82 CHRNA7 (0.46) CHRNB2CHRNA4CHRNA7KCNH2HTR3A
SCHEMBL6007585 0.79 CHRNB2 (0.58) CHRNB2CHRNA4CHRNA7KCNH2
SCHEMBL6006753 0.79 CHRNB2 (0.58) CHRNB2CHRNA4CHRNA7KCNH2
SCHEMBL842326 0.78 CHRNA7 (0.59) CHRNA7HTR3A
SCHEMBL6008770 0.78 CHRNA7 (0.65) CHRNA7HTR3A
SCHEMBL6008657 0.78 CHRNA7 (0.65) CHRNA7HTR3A
Hydrochloric Acid SCHEMBL6008611 0.77 CHRNA7 (0.64) CHRNA7HTR3A
SCHEMBL6007701 0.77 CHRNA7 (0.64) CHRNB2CHRNA4CHRNA7HTR3A
SCHEMBL6849531 0.76 CHRNA7 (0.41) CHRNB2CHRNA4CHRNA7HTR3A

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 1185/4885CHRNA4 1450/4885CHRNA7 594/4885

“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.