SCHEMBL6008733

SCHEMBL6008733

C[C@H]1[C@H](NC(=O)c2cc3sccc3c(Cl)n2)C2CCN1CC2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 13/20 0.39
HTR3A P46098 4/20 0.39
CHRNB2 P17787 7/20 0.38
CHRNA4 P43681 7/20 0.38
CSNK2A2 P19784 4/20 0.38
CSNK2B P67870 4/20 0.38
CSNK2A1 P68400 4/20 0.38
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36

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
SCHEMBL6009186 0.89 CHRNA7 (0.39) CHRNA7HTR3ACHRNB2CHRNA4CSNK2A2
SCHEMBL6007808 0.86 CHRNA7 (0.38) CHRNA7HTR3ACHRNB2CHRNA4CSNK2A2
SCHEMBL6008358 0.86 CHRNA7 (0.39) CHRNA7HTR3ACHRNB2CHRNA4CSNK2A2
SCHEMBL6007754 0.84 CHRNA7 (0.39) CHRNA7HTR3ACHRNB2CHRNA4HTR3E
SCHEMBL5704714 0.81 CHRNA7 (0.57) CHRNA7HTR3ACHRNB2CHRNA4HTR3E
Hydrochloric Acid SCHEMBL6007038 0.80 CHRNA7 (0.56) CHRNA7HTR3ACHRNB2CHRNA4HTR3E
SCHEMBL6008514 0.80 CHRNA7 (0.41) CHRNA7HTR3ACHRNB2CHRNA4HTR3E
SCHEMBL5704845 0.79 CHRNA7 (0.61) CHRNA7HTR3ACHRNB2CHRNA4HTR3E
SCHEMBL6008502 0.79 CHRNA7 (0.59) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL6006716 0.79 CHRNA7 (0.44) CHRNA7HTR3ACHRNB2CHRNA4HTR3E

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 CHRNA7 594/4885HTR3A 971/4885CHRNB2 1185/4885

“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.