SCHEMBL6490896

SCHEMBL6490896

O=C(NC1CC2CC1CN2)c1ncc(-c2cccc(NC(=O)C(F)(F)F)c2)s1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.40
USP30 Q70CQ3 1/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
WNT3A P56704 1/20 0.39
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
PAX8 Q06710 2/20 0.37
MEN1 O00255 1/20 0.37
HSP90AA1 P07900 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL6487656 0.93 DGAT1 (0.45) DGAT1USP30NPC1RAB9AWNT3A
SCHEMBL6488820 0.89 NQO2 (0.45) DGAT1USP30NPC1RAB9AALDH1A1
SCHEMBL6485604 0.85 CHRNA7 (0.45) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL6487733 0.85 USP30 (0.43) DGAT1USP30HDAC6
SCHEMBL6487585 0.85 DGAT1 (0.39) DGAT1USP30NPC1RAB9AALDH1A1
SCHEMBL6489724 0.84 USP30 (0.53) DGAT1USP30HDAC6
SCHEMBL6501650 0.84 USP30 (0.44) DGAT1USP30HDAC6
SCHEMBL6499800 0.84 USP30 (0.44) DGAT1USP30HDAC6
SCHEMBL6487027 0.83 HDAC6 (0.50) DGAT1USP30NPC1RAB9AHDAC6
SCHEMBL6500135 0.83 HDAC6 (0.49) DGAT1USP30NPC1RAB9AMAPT

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 3442/4885NPC1 224/4885

“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.