SCHEMBL4537288

SCHEMBL4537288

COC(=O)N1CCCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DKK1 O94907 3/20 0.57
HCAR2 Q8TDS4 1/20 0.48
STK17A Q9UEE5 1/20 0.48
FAAH O00519 2/20 0.48
CA9 Q16790 4/20 0.47
CA2 P00918 2/20 0.47
DGAT1 O75907 1/20 0.46
TBK1 Q9UHD2 1/20 0.43
SMO Q99835 1/20 0.43
CYP3A4 P08684 1/20 0.43
PKM P14618 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SLC6A7 Q99884 1/20 0.43

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
SCHEMBL4534319 0.90 DKK1 (0.55) DKK1FAAHCA9RAB9ASLC6A7
SCHEMBL4522804 0.89 DKK1 (0.60) DKK1HCAR2FAAHCA9DGAT1
SCHEMBL4535156 0.86 DKK1 (0.60) DKK1HCAR2FAAHCA9CA2
SCHEMBL3651342 0.86 DKK1 (0.57) DKK1HCAR2FAAHCA9DGAT1
SCHEMBL4532828 0.86 DKK1 (0.55) DKK1HCAR2FAAHCA9CA2
SCHEMBL4538921 0.85 DKK1 (0.59) DKK1HCAR2FAAHCA9CA2
SCHEMBL3651086 0.84 ACHE (0.57) DKK1FAAHTBK1
SCHEMBL3653482 0.84 PKM (0.61) DKK1PKMSLC6A7
SCHEMBL3698714 0.84 DKK1 (0.54) DKK1HCAR2FAAHCA9CA2
SCHEMBL3644943 0.83 DKK1 (0.74) DKK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 US claimed
US-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 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-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WNT1, CTNNB1, WNT3A DKK1 9/4885HCAR2 1046/4885STK17A 791/4885

“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.