SCHEMBL6006100

SCHEMBL6006100

CC#Cc1cc2cnc(C(=O)N[C@H]3CN4CCC3CC4)cc2o1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 10/20 0.57
CHRNA7 P36544 9/20 0.57
HTR3E A5X5Y0 4/20 0.57
HTR3B O95264 4/20 0.57
HTR3D Q70Z44 4/20 0.57
HTR3C Q8WXA8 4/20 0.57
KCNH2 Q12809 2/20 0.43
CYP2D6 P10635 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 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
SCHEMBL842595 0.95 CHRNA7 (0.52) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL6009335 0.89 CHRNA7 (0.56) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL6008901 0.89 HTR3A (0.54) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL6006396 0.89 CHRNA7 (0.56) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL6007771 0.89 CHRNA7 (0.56) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL6007001 0.88 CHRNA7 (0.59) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL6009301 0.88 HTR3A (0.59) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL843906 0.85 CHRNA7 (0.49) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL843990 0.85 CHRNA7 (0.51) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL844024 0.84 CHRNA7 (0.50) HTR3ACHRNA7HTR3EHTR3BHTR3D

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 HTR3A 971/4885CHRNA7 594/4885HTR3E 1472/4885

“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.