SCHEMBL6499796

SCHEMBL6499796

O=C(NC1CC2CNC1C2)c1ncc(-c2ccccc2F)s1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.38
DGAT1 O75907 5/20 0.37
CHEK1 O14757 4/20 0.35
HDAC6 Q9UBN7 3/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
ESRRG P62508 2/20 0.33
STIM1 Q13586 1/20 0.32
ORAI1 Q96D31 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
ACKR3 P25106 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6490592 0.88 USP30 (0.38) USP30DGAT1HDAC6HDAC1HDAC3
SCHEMBL6496164 0.88 HDAC1 (0.45) USP30DGAT1CHEK1HDAC6HDAC1
SCHEMBL6495825 0.88 USP30 (0.38) USP30DGAT1HDAC6HDAC1HDAC3
SCHEMBL6488254 0.88 USP30 (0.40) USP30DGAT1HDAC6HDAC1HDAC3
SCHEMBL6497526 0.86 HDAC6 (0.48) USP30DGAT1CHEK1HDAC6HDAC1
SCHEMBL6500752 0.85 USP30 (0.52) USP30DGAT1HDAC6HDAC1
SCHEMBL6489257 0.84 USP30 (0.38) USP30DGAT1HDAC6HDAC1HDAC3
SCHEMBL6499357 0.84 PARP14 (0.35) USP30DGAT1HDAC6HDAC1HDAC3
SCHEMBL6497430 0.83 ESRRG (0.48) CHEK1ESRRGACKR3SMN1; SMN2
SCHEMBL6502161 0.83 HDAC1 (0.43) USP30DGAT1CHEK1HDAC6HDAC1

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 USP30 3442/4885DGAT1 2495/4885CHEK1 4398/4885

“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.