SCHEMBL6488254

SCHEMBL6488254

Cc1ccccc1-c1cnc(C(=O)NC2CC3CNC2C3)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.40
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
NAMPT P43490 1/20 0.34
DGAT1 O75907 3/20 0.34
HPGD P15428 2/20 0.33
POLQ O75417 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
GRIN2B Q13224 1/20 0.31
MAPK11 Q15759 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
SCHEMBL6496164 0.90 HDAC1 (0.45) USP30HDAC1HDAC6HDAC3HDAC2
SCHEMBL6490592 0.88 USP30 (0.38) USP30HDAC1HDAC6HDAC3HDAC2
SCHEMBL6497526 0.88 HDAC6 (0.48) USP30HDAC1HDAC6HDAC3HDAC2
SCHEMBL6495825 0.88 USP30 (0.38) USP30HDAC1HDAC6HDAC3HDAC2
SCHEMBL6499796 0.88 USP30 (0.38) USP30HDAC1HDAC6HDAC3HDAC2
SCHEMBL6489257 0.86 USP30 (0.38) USP30HDAC1HDAC6HDAC3HDAC2
SCHEMBL6500752 0.85 USP30 (0.52) USP30HDAC1HDAC6DGAT1
SCHEMBL6498394 0.83 HPGD (0.48) HPGDMAPK11MAPK14
SCHEMBL6501682 0.83 USP30 (0.43) USP30HDAC1HDAC6DGAT1
SCHEMBL6498058 0.82 USP30 (0.40) USP30HDAC1HDAC6HDAC3HDAC2

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 6 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
EP-1442041-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-08-04 EP disclosed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US disclosed
WO-2003040147-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE__________________________________________________________________________________________________________________________ PHARMACIA & UPJOHN COMPANY (US) 2003-05-15 WO 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 3442/4885HDAC1 467/4885HDAC6 1069/4885

“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.