SCHEMBL6008708

SCHEMBL6008708

C[C@H]1[C@H](NC(=O)c2cc3c(N4CCCCC4=O)csc3cn2)C2CCN1CC2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.34
HTR3A P46098 2/20 0.34
CHRNB2 P17787 4/20 0.34
CHRNA4 P43681 4/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
RIPK1 Q13546 1/20 0.33
FPR2 P25090 2/20 0.32
NPC1 O15118 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
FPR1 P21462 1/20 0.30

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
SCHEMBL6006648 0.88 CHRNA7 (0.36) CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL6009250 0.87 CHRNA7 (0.37) CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL6008777 0.87 CHRNA7 (0.34) CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL6006372 0.87 CHRNA7 (0.36) CHRNA7HTR3ACHRNB2CHRNA4NPC1
SCHEMBL6008469 0.86 CHRNA7 (0.33) CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL6006970 0.86 CHRNA7 (0.33) CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL6007702 0.83 CHRNA7 (0.40) CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL6006581 0.83 CHRNA7 (0.36) CHRNA7HTR3ACHRNB2CHRNA4CYP3A4
SCHEMBL6008697 0.83 CHRNA7 (0.36) CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL6007577 0.82 CHRNA7 (0.46) CHRNA7HTR3A

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.