SCHEMBL6008732

SCHEMBL6008732

C[C@H]1[C@H](NC(=O)c2cc3c(C(=O)N4CCOCC4)csc3cn2)C2CCN1CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.35
CHRNA7 P36544 5/20 0.35
HTR3A P46098 2/20 0.35
HRH3 Q9Y5N1 1/20 0.34
CHRNB2 P17787 3/20 0.34
CHRNA4 P43681 3/20 0.34
CNR2 P34972 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CNR1 P21554 1/20 0.34
CYP2C19 P33261 1/20 0.34
MOK Q9UQ07 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BMPR1B O00238 1/20 0.33
BMPR1A P36894 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVRL1 P37023 1/20 0.33
ACVR1 Q04771 1/20 0.33
PIK3C3 Q8NEB9 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
SCHEMBL6007439 0.94 HRH3 (0.39) HPGDCHRNA7HTR3AHRH3CHRNB2
SCHEMBL6007791 0.92 HRH3 (0.41) HPGDCHRNA7HTR3AHRH3CHRNB2
SCHEMBL6008794 0.92 HRH3 (0.39) HPGDCHRNA7HTR3AHRH3CHRNB2
SCHEMBL6007555 0.91 HRH3 (0.43) HPGDCHRNA7HTR3AHRH3CHRNB2
SCHEMBL6008831 0.91 MAP3K7 (0.38) CHRNA7HTR3AHRH3CHRNB2CHRNA4
SCHEMBL6006117 0.90 CHRNA7 (0.35) HPGDCHRNA7HTR3AHRH3CHRNB2
SCHEMBL6007827 0.90 CHRNA7 (0.35) CHRNA7HTR3AHRH3CHRNB2CHRNA4
SCHEMBL6008486 0.86 CHRNA7 (0.38) CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL6008809 0.86 CHRNA7 (0.38) CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL6008827 0.86 CHRNA7 (0.37) CHRNA7HTR3ACHRNB2CHRNA4CNR2

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 HPGD 613/4885CHRNA7 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.