SCHEMBL6503084

SCHEMBL6503084

O=C(NC1CC2CNC1C2)c1ncc(-c2ccc(NC(=O)C(F)(F)F)cc2)s1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 14/20 0.43
USP30 Q70CQ3 1/20 0.37
ROCK1 Q13464 1/20 0.36
ULK1 O75385 1/20 0.35
WNT3A P56704 1/20 0.35

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
SCHEMBL6487585 0.92 DGAT1 (0.39) DGAT1USP30WNT3A
SCHEMBL6499341 0.87 DGAT1 (0.45) DGAT1USP30ROCK1
SCHEMBL6502161 0.85 HDAC1 (0.43) DGAT1USP30ULK1
SCHEMBL6496086 0.85 ESRRG (0.41)
SCHEMBL6491156 0.84 USP30 (0.41) DGAT1USP30ROCK1
SCHEMBL6499357 0.83 PARP14 (0.35) DGAT1USP30
SCHEMBL6486393 0.83 USP30 (0.41) DGAT1USP30ROCK1
SCHEMBL6501682 0.83 USP30 (0.43) DGAT1USP30
SCHEMBL6486763 0.83 HDAC1 (0.43) DGAT1USP30
SCHEMBL6487656 0.83 DGAT1 (0.45) DGAT1USP30ROCK1ULK1WNT3A

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 DGAT1 2495/4885USP30 3442/4885ROCK1 2796/4885

“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.