SCHEMBL4532414

SCHEMBL4532414

CN[C@H]1CC[C@H](N(C)C(=O)O)CC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.34
ALDH1A1 P00352 1/20 0.33
NPY5R Q15761 2/20 0.32
ABCC1 P33527 1/20 0.30

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
SCHEMBL217412 0.84
SCHEMBL26599781 0.83 DPP4 (0.35) ATMNPY5R
SCHEMBL26599785 0.83 DPP4 (0.35) ATMNPY5R
SCHEMBL17207644 0.83 DPP4 (0.35) ATMNPY5R
Hydrochloric Acid SCHEMBL4471911 0.82
SCHEMBL31473525 0.82 SYK (0.32) ATM
SCHEMBL7494386 0.79 ATM (0.35) ATMALDH1A1NPY5RABCC1
SCHEMBL17085676 0.79 RAB9A (0.32) ATMALDH1A1NPY5R
SCHEMBL15191474 0.78 L3MBTL3 (0.38) ATMALDH1A1ABCC1
SCHEMBL24456071 0.77 MCHR1 (0.33)

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 1 patent. 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 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 ATM 2105/4885ALDH1A1 2250/4885NPY5R 1301/4885

“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.