SCHEMBL6489645

SCHEMBL6489645

COc1ccccc1-c1cnc(C(=O)N[C@H]2CN3CCC2CC3C)s1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.54
HTR3A P46098 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
KCNH2 Q12809 1/20 0.42
USP30 Q70CQ3 1/20 0.42
DGAT1 O75907 1/20 0.41
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
UGCG Q16739 1/20 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
SCHEMBL6498467 0.88 USP30 (0.43) CHRNA7HTR3AUSP30DGAT1
SCHEMBL6497997 0.88 USP30 (0.43) CHRNA7HTR3AUSP30DGAT1UGCG
SCHEMBL6498270 0.87 CHRNA7 (0.51) CHRNA7HTR3AHDAC1HDAC6USP30
SCHEMBL6495237 0.87 USP30 (0.43) CHRNA7HTR3AUSP30DGAT1
SCHEMBL6487812 0.87 USP30 (0.43) CHRNA7HTR3AUSP30DGAT1CHRNB2
SCHEMBL7219391 0.86 CHRNA7 (0.72) CHRNA7HTR3AKCNH2
SCHEMBL6498332 0.85 CHRNA7 (0.74) CHRNA7HTR3AHDAC6KCNH2
SCHEMBL6496913 0.85 USP30 (0.57) CHRNA7HTR3AUSP30DGAT1
SCHEMBL6487751 0.85 USP30 (0.41) CHRNA7HTR3AUSP30DGAT1
SCHEMBL6487962 0.83 USP30 (0.45) CHRNA7HTR3AHDAC1HDAC6USP30

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-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
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 CHRNA7 1097/4885HTR3A 3006/4885HDAC3 1855/4885

“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.