SCHEMBL6654041

SCHEMBL6654041

C[C@H]1[C@H](NC(=O)c2cc3ncsc3cn2)C2CCN1CC2

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 13/20 0.41
HTR3A P46098 3/20 0.40
CHRNB2 P17787 5/20 0.39
CHRNA4 P43681 5/20 0.39
CHRM5 P08912 4/20 0.37

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
SCHEMBL6651286 0.91 CHRNA7 (0.43) CHRNA7HTR3ACHRNB2CHRNA4CHRM5
SCHEMBL6652863 0.83 CHRNA7 (0.52) CHRNA7CHRM5
SCHEMBL5704845 0.82 CHRNA7 (0.61) CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL6008924 0.81 CHRNA7 (0.39) CHRNA7HTR3ACHRNB2CHRNA4
Hydrochloric Acid SCHEMBL6007255 0.81 CHRNA7 (0.60) CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL6007672 0.81 CHRNA7 (0.39) CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL5917847 0.80 CHRNA7 (0.62) CHRNA7
SCHEMBL6009150 0.80 CHRNA7 (0.42) CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL6008664 0.80 CHRNA7 (0.39) CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL6008998 0.80 CHRNA7 (0.39) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828330-B2 Central nervous system disorders; schizophrenia; psychological disorders PHARMACIA & UPJOHN COMPANY 2004-12-07 US claimed
EP-1404674-A2 QUINUCLIDINE-SUBSTITUTED HETEROAROMATIC COMPOUNDS AS LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS PHARMACIA & UPJOHN COMPANY (US) 2004-04-07 EP claimed
US-20030073707-A1 Quinuclidine-substituted hetero-bicyclic aromatic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-17 US claimed
WO-2002100858-A2 QUINUCLIDINE-SUBSTITUTED HETEROAROMATIC COMPOUNDS AS LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS PHARMACIA & UPJOHN COMPANY (US) 2002-12-19 WO claimed
US-6828330-B2 Central nervous system disorders; schizophrenia; psychological disorders PHARMACIA & UPJOHN COMPANY 2004-12-07 US disclosed
US-20040224977-A1 Quinuclidine-substituted hetero-bicyclic aromatic compounds for the treatment of disease WALKER DANIEL PATRICK (US) 2004-11-11 US disclosed
EP-1404674-A2 QUINUCLIDINE-SUBSTITUTED HETEROAROMATIC COMPOUNDS AS LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS PHARMACIA & UPJOHN COMPANY (US) 2004-04-07 EP disclosed
US-20030073707-A1 Quinuclidine-substituted hetero-bicyclic aromatic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-17 US disclosed
WO-2002100858-A2 QUINUCLIDINE-SUBSTITUTED HETEROAROMATIC COMPOUNDS AS LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS PHARMACIA & UPJOHN COMPANY (US) 2002-12-19 WO 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 (2 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-20030073707-A1 Quinuclidine-substituted hetero-bicyclic aromatic compounds for the treatment of disease NAT1, UGT1A1, SLC10A1 CHRNA7 672/4885HTR3A 1351/4885CHRNB2 1367/4885
US-20040224977-A1 Quinuclidine-substituted hetero-bicyclic aromatic compounds for the treatment of disease NAT1, UGT1A1, SLC10A1 CHRNA7 672/4885HTR3A 1351/4885CHRNB2 1367/4885

“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.