SCHEMBL6502086

SCHEMBL6502086

COc1ccc(-c2ccc(C(=O)N[C@H]3CN4CCC3CC4C)s2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 12/20 0.53
HTR3E A5X5Y0 5/20 0.53
HTR3B O95264 5/20 0.53
HTR3A P46098 5/20 0.53
HTR3D Q70Z44 5/20 0.53
HTR3C Q8WXA8 5/20 0.53
KDM4E B2RXH2 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
MCHR1 Q99705 3/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL6498511 0.91 CHRNA7 (0.55) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6494623 0.89 CHRNA7 (0.56) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6497022 0.89 CHRNA7 (0.56) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6495789 0.88 CHRNA7 (0.55) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6486630 0.88 CHRNA7 (0.55) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6497824 0.88 CHRNA7 (0.55) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6499261 0.88 CHRNA7 (0.69) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6488476 0.86 CHRNA7 (0.56) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7063158 0.85 CHRNA7 (0.74) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6487962 0.85 USP30 (0.45) 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 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
EP-1442041-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-08-04 EP claimed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US claimed
WO-2003040147-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE__________________________________________________________________________________________________________________________ PHARMACIA & UPJOHN COMPANY (US) 2003-05-15 WO claimed
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.