SCHEMBL6843771

SCHEMBL6843771

C[C@H]1[C@H](NC(=O)c2ccc3sncc3c2)C2CCN1CC2

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 13/20 0.40
CHRNB2 P17787 10/20 0.40
CHRNA4 P43681 10/20 0.40
HTR3A P46098 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL6843851 0.91 CHRNA7 (0.47) CHRNA7CHRNB2CHRNA4HTR3A
SCHEMBL6652484 0.82 CHRNA7 (0.59) CHRNA7CHRNB2CHRNA4HTR3ANPC1
SCHEMBL6632433 0.82 CHRNA7 (0.59) CHRNA7CHRNB2CHRNA4HTR3ANPC1
SCHEMBL5917962 0.82 CHRNA7 (0.59) CHRNA7CHRNB2CHRNA4HTR3ANPC1
Hydrochloric Acid SCHEMBL6478770 0.81 CHRNA7 (0.58) CHRNA7CHRNB2CHRNA4HTR3ANPC1
Hydrochloric Acid SCHEMBL6633801 0.81 CHRNA7 (0.58) CHRNA7CHRNB2CHRNA4HTR3ANPC1
SCHEMBL6659231 0.80 CHRNA7 (0.42) CHRNA7CHRNB2CHRNA4HTR3ANPC1
SCHEMBL6636628 0.80 CHRNA7 (0.63) CHRNA7NPC1RAB9A
SCHEMBL5917953 0.79 DRD4 (0.51) NPC1RAB9A
Hydrochloric Acid SCHEMBL6099824 0.78 DRD4 (0.50) CHRNA7NPC1RAB9A

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 6 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
US-20040224977-A1 Quinuclidine-substituted hetero-bicyclic aromatic compounds for the treatment of disease WALKER DANIEL PATRICK (US) 2004-11-11 US claimed
US-20030073707-A1 Quinuclidine-substituted hetero-bicyclic aromatic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-17 US 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
US-20030073707-A1 Quinuclidine-substituted hetero-bicyclic aromatic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-17 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 (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 672/4885CHRNB2 1367/4885CHRNA4 999/4885
US-20040224977-A1 Quinuclidine-substituted hetero-bicyclic aromatic compounds for the treatment of disease NAT1, UGT1A1, SLC10A1 CHRNA7 672/4885CHRNB2 1367/4885CHRNA4 999/4885

“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.