SCHEMBL6006290

SCHEMBL6006290

C[C@H]1[C@H](NC(=O)c2cc3sc(C(=O)N4CCN(C)CC4)cc3cn2)C2CCN1CC2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.43
SYK P43405 2/20 0.41
PDE7A Q13946 2/20 0.39
CHRNA7 P36544 8/20 0.39
HTR3A P46098 3/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
AURKA O14965 1/20 0.34
CDK1 P06493 1/20 0.34
AURKB Q96GD4 1/20 0.34

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
SCHEMBL6009187 0.96 CHRNA7 (0.41) HRH4SYKCHRNA7HTR3ACHRNB2
SCHEMBL6006293 0.93 CHRNA7 (0.40) CHRNA7HTR3ACHRNB2CHRNA4ALDH1A1
SCHEMBL6005212 0.93 CHRNA7 (0.40) HRH4PDE7ACHRNA7HTR3ACHRNB2
SCHEMBL6007305 0.92 CHRNA7 (0.39) PDE7ACHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL6007112 0.91 CHRNA7 (0.39) CHRNA7HTR3ACHRNB2CHRNA4ALDH1A1
SCHEMBL6007977 0.90 CHRNA7 (0.38) PDE7ACHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL6005935 0.90 L3MBTL1 (0.43) CHRNA7HTR3ACHRNB2CHRNA4HPGD
SCHEMBL6005285 0.87 CHRNA7 (0.42) CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL6008372 0.87 CHRNA7 (0.42) CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL6008876 0.85 CHRNA7 (0.40) CHRNA7HTR3ACHRNB2CHRNA4

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 HRH4 405/4885SYK 4014/4885PDE7A 106/4885

“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.