SCHEMBL6007439

SCHEMBL6007439

C[C@H]1[C@H](NC(=O)c2cc3c(C(=O)N4CC4)csc3cn2)C2CCN1CC2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.39
CHRNA7 P36544 7/20 0.37
HTR3A P46098 2/20 0.37
CHRNB2 P17787 4/20 0.36
CHRNA4 P43681 4/20 0.36
HSD17B10 Q99714 2/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAP3K7 O43318 1/20 0.34
HTT P42858 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL6008831 0.97 MAP3K7 (0.38) HRH3CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL6007791 0.96 HRH3 (0.41) HRH3CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL6008794 0.96 HRH3 (0.39) HRH3CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL6007555 0.95 HRH3 (0.43) HRH3CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL6006117 0.94 CHRNA7 (0.35) HRH3CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL6008732 0.94 HPGD (0.35) HRH3CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL6007827 0.94 CHRNA7 (0.35) HRH3CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL6008486 0.90 CHRNA7 (0.38) CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL6008809 0.90 CHRNA7 (0.38) CHRNA7HTR3ACHRNB2CHRNA4MAPT
SCHEMBL6007740 0.89 CHRNA7 (0.37) CHRNA7HTR3ACHRNB2CHRNA4MAP3K7

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 HRH3 471/4885CHRNA7 594/4885HTR3A 971/4885

“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.