SCHEMBL6496323

SCHEMBL6496323

O=C(NC1CC2CC1CN2)c1ncc(Cl)s1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
SMYD3 Q9H7B4 2/20 0.34
CHRNA7 P36544 1/20 0.34
USP30 Q70CQ3 1/20 0.32
ALOX15 P16050 1/20 0.32
F10 P00742 3/20 0.32
RIPK1 Q13546 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
PYGL P06737 1/20 0.31

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
SCHEMBL6488734 0.85 CCNE1 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4SMYD3
SCHEMBL6489430 0.85 SMYD3 (0.50) SMYD3CHRNA7USP30IRAK4
SCHEMBL6499855 0.83 HDAC1 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4USP30
SCHEMBL6490674 0.82 HDAC1 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL6489724 0.81 USP30 (0.53) CHRNA7USP30
SCHEMBL6487027 0.80 HDAC6 (0.50) USP30
SCHEMBL6498058 0.79 USP30 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4SMYD3
SCHEMBL6099636 0.79 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4IRAK4
SCHEMBL6495134 0.79 USP30 (0.44) USP30
SCHEMBL6494461 0.78 F10 (0.48) F10

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 CHRNB2 1745/4885CHRNB4 1413/4885CHRNA3 1747/4885

“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.