SCHEMBL6501277

SCHEMBL6501277

CC(=O)Nc1cccc(-c2ccc(C(=O)NC3CC4CC3CN4)s2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.52
CHRNA7 P36544 5/20 0.48
HTR3E A5X5Y0 4/20 0.48
HTR3B O95264 4/20 0.48
HTR3A P46098 4/20 0.48
HTR3D Q70Z44 4/20 0.48
HTR3C Q8WXA8 4/20 0.48
HSD17B1 P14061 3/20 0.46
HSD17B2 P37059 3/20 0.46
TP53 P04637 2/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NPC1 O15118 1/20 0.43
PPARG P37231 1/20 0.43
RAB9A P51151 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
CHEK1 O14757 1/20 0.43

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
SCHEMBL6499145 0.91 CHRNA7 (0.48) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6485604 0.89 CHRNA7 (0.45) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6490374 0.86 RXFP1 (0.48) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6486616 0.85 CHRNA7 (0.58) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6501238 0.85 HPGDS (0.53) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6488820 0.85 NQO2 (0.45) NQO2TP53MAPTSMN1; SMN2NPC1
SCHEMBL6500034 0.84 MAPK11 (0.48) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6489231 0.84 ESRRG (0.51) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6487125 0.84 HPGDS (0.51) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7223914 0.83 NQO2 (0.51) NQO2CHRNA7HTR3EHTR3BHTR3A

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-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US claimed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US claimed
US-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US disclosed
EP-1442041-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-08-04 EP disclosed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US disclosed
WO-2003040147-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE__________________________________________________________________________________________________________________________ PHARMACIA & UPJOHN COMPANY (US) 2003-05-15 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-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease MALT1, WFS1, NR5A1 NQO2 43/4885CHRNA7 1097/4885HTR3E 3516/4885

“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.