SCHEMBL6499012

SCHEMBL6499012

O=C(NC1CC2CNC1C2)c1ncc(Br)s1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 4/20 0.33
FPR2 P25090 4/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
USP30 Q70CQ3 1/20 0.30
SMYD3 Q9H7B4 1/20 0.30

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
SCHEMBL6485802 0.85 CHRNB2 (0.37) CHRNB2CHRNB4CHRNA3CHRNA4USP30
SCHEMBL6499195 0.85 SMYD3 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4USP30
SCHEMBL6500752 0.80 USP30 (0.52) USP30
SCHEMBL6491156 0.79 USP30 (0.41) USP30
SCHEMBL6498845 0.78 ALDH1A1 (0.51)
SCHEMBL6486393 0.78 USP30 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4USP30
SCHEMBL6486763 0.78 HDAC1 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4USP30
SCHEMBL6501682 0.78 USP30 (0.43) USP30
SCHEMBL6502161 0.78 HDAC1 (0.43) USP30
SCHEMBL6490592 0.77 USP30 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4USP30

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 4 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
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 FPR3 1972/4885FPR2 1456/4885CHRNB2 1745/4885

“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.