SCHEMBL6490211

SCHEMBL6490211

O=C(NC1CN2CCC1C2)c1ccc(-c2cccnc2)s1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 14/20 0.69
HTR3E A5X5Y0 5/20 0.69
HTR3B O95264 5/20 0.69
HTR3A P46098 5/20 0.69
HTR3D Q70Z44 5/20 0.69
HTR3C Q8WXA8 5/20 0.69
CHRNB2 P17787 3/20 0.57
CHRNA4 P43681 3/20 0.57
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
MKNK1 Q9BUB5 1/20 0.49

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
SCHEMBL4200197 0.95 CHRNA7 (0.78) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL4207665 0.95 CHRNA7 (0.78) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL4194858 0.95 CHRNA7 (0.78) CHRNA7HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL7193258 0.94 CHRNA7 (0.76) CHRNA7HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL7059232 0.94 CHRNA7 (0.76) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6499033 0.83 CHRNA7 (0.72) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL4201891 0.82 CHRNA7 (0.79) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL4207143 0.82 CHRNA7 (0.79) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL4201895 0.82 CHRNA7 (0.79) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6806889 0.82 CHRNA7 (1.00) CHRNA7HTR3EHTR3BHTR3AHTR3D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US disclosed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 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-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease MALT1, WFS1, NR5A1 CHRNA7 1097/4885HTR3E 3516/4885HTR3B 2561/4885

“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.