SCHEMBL6490465

SCHEMBL6490465

O=C(NC1CC2CC1CN2)c1ncc(-c2ccc(F)cc2)s1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.45
HDAC1 Q13547 4/20 0.45
DGAT1 O75907 9/20 0.43
USP30 Q70CQ3 3/20 0.43
ABL1 P00519 1/20 0.41
ULK1 O75385 1/20 0.41
GHSR Q92847 1/20 0.34

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
SCHEMBL6487733 0.91 USP30 (0.43) HDAC6HDAC1DGAT1USP30ABL1
SCHEMBL6495134 0.90 USP30 (0.44) HDAC6HDAC1DGAT1USP30
SCHEMBL6489724 0.90 USP30 (0.53) HDAC6HDAC1DGAT1USP30
SCHEMBL6490254 0.89 USP30 (0.43) HDAC6HDAC1DGAT1USP30
SCHEMBL6499855 0.89 HDAC1 (0.45) HDAC6HDAC1DGAT1USP30ABL1
SCHEMBL6498247 0.89 USP30 (0.45) HDAC6HDAC1DGAT1USP30
SCHEMBL6496553 0.86 HDAC1 (0.48) HDAC6HDAC1DGAT1USP30
SCHEMBL6485776 0.85 DGAT1 (0.47) DGAT1USP30
SCHEMBL6499800 0.85 USP30 (0.44) HDAC6HDAC1DGAT1USP30
SCHEMBL6501650 0.85 USP30 (0.44) HDAC6HDAC1DGAT1USP30

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 HDAC6 1069/4885HDAC1 467/4885DGAT1 2495/4885

“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.