SCHEMBL6006750

SCHEMBL6006750

C[C@H]1[C@H](NC(=O)c2cnc3sccc3c2)C2CCN1CC2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.40
CHRNA7 P36544 10/20 0.40
HTR3A P46098 5/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
CHRNB2 P17787 3/20 0.38
CHRNA4 P43681 3/20 0.38

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
SCHEMBL6006215 0.84 CHRNA7 (0.44) HPGDSCHRNA7HTR3AHTR3EHTR3B
SCHEMBL5917962 0.82 CHRNA7 (0.59) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL6632433 0.82 CHRNA7 (0.59) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL6652484 0.82 CHRNA7 (0.59) CHRNA7HTR3AHTR3EHTR3BCHRNB4
Hydrochloric Acid SCHEMBL6478770 0.81 CHRNA7 (0.58) CHRNA7HTR3AHTR3EHTR3BCHRNB4
Hydrochloric Acid SCHEMBL6633801 0.81 CHRNA7 (0.58) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL6849461 0.81 CHRNA7 (0.46) HPGDSCHRNA7HTR3AHTR3EHTR3B
SCHEMBL6759375 0.80 CHRNA7 (0.62) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL6628550 0.80 CHRNA7 (0.62) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL6629869 0.80 CHRNA7 (0.62) CHRNA7HTR3AHTR3EHTR3BCHRNB4

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 8 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
EP-1406901-A1 QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-04-14 EP claimed
US-20030045540-A1 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-03-06 US claimed
WO-2002100857-A1 QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2002-12-19 WO claimed
US-7067515-B2 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease PFIZER INC. (US) 2006-06-27 US disclosed
EP-1406901-A1 QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-04-14 EP disclosed
US-20030045540-A1 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-03-06 US disclosed
WO-2002100857-A1 QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE 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 (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 HPGDS 1342/4885CHRNA7 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.