SCHEMBL6487656

SCHEMBL6487656

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 14/20 0.45
USP30 Q70CQ3 1/20 0.39
ROCK1 Q13464 1/20 0.38
WNT3A P56704 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ULK1 O75385 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
SCHEMBL6490896 0.93 DGAT1 (0.40) DGAT1USP30WNT3AMEN1NPC1
SCHEMBL6485776 0.87 DGAT1 (0.47) DGAT1USP30ROCK1NPC1RAB9A
SCHEMBL6490465 0.85 HDAC6 (0.45) DGAT1USP30HDAC1HDAC6ULK1
SCHEMBL6488520 0.85 CHRNA7 (0.44) MEN1NPC1TP53RAB9AKMT2A
SCHEMBL6503138 0.84 PARP14 (0.35) DGAT1USP30TP53HDAC1HDAC6
SCHEMBL6495134 0.84 USP30 (0.44) DGAT1USP30ROCK1HDAC1HDAC6
SCHEMBL6489724 0.84 USP30 (0.53) DGAT1USP30HDAC1HDAC6
SCHEMBL6499855 0.83 HDAC1 (0.45) DGAT1USP30HDAC1HDAC6
SCHEMBL6498247 0.83 USP30 (0.45) DGAT1USP30HDAC1HDAC6
SCHEMBL6490254 0.83 USP30 (0.43) DGAT1USP30ROCK1HDAC1HDAC6

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.