SCHEMBL6490674

SCHEMBL6490674

O=C(NC1CC2CC1CN2)c1ncc(-c2ccccc2Cl)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
CHRNA7 P36544 1/20 0.41
DGAT1 O75907 2/20 0.38
USP30 Q70CQ3 1/20 0.38
LIMK1 P53667 4/20 0.36
CNR1 P21554 2/20 0.35
CHEK1 O14757 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
MAPK11 Q15759 1/20 0.33

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
SCHEMBL6498058 0.89 USP30 (0.40) HDAC1HDAC6CHRNA7DGAT1USP30
SCHEMBL6488002 0.88 USP30 (0.39) HDAC1HDAC6DGAT1USP30CHRNB2
SCHEMBL6494676 0.87 USP30 (0.38) HDAC1HDAC6DGAT1USP30CHRNB2
SCHEMBL6486475 0.87 USP30 (0.38) HDAC1HDAC6DGAT1USP30CHEK1
SCHEMBL6490625 0.85 HDAC3 (0.50) HDAC1HDAC6CHRNA7DGAT1USP30
SCHEMBL6489724 0.84 USP30 (0.53) HDAC1HDAC6CHRNA7DGAT1USP30
SCHEMBL6499855 0.84 HDAC1 (0.45) HDAC1HDAC6DGAT1USP30CNR1
SCHEMBL6498771 0.84 USP30 (0.38) HDAC1HDAC6DGAT1USP30LIMK1
SCHEMBL6499756 0.83 CHRNA7 (0.61) CHRNA7MAPK11MAPK14
SCHEMBL6496164 0.82 HDAC1 (0.45) HDAC1HDAC6CHRNA7DGAT1USP30

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 HDAC1 467/4885HDAC6 1069/4885CHRNA7 1097/4885

“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.