SCHEMBL13438908

SCHEMBL13438908

CC(C)(C)c1ccc(NC[C@H]2CC[C@H](N)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.39
▸ CA2 P00918 4/20 0.39
▸ GAA P10253 1/20 0.37
▸ EPHX1 P07099 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ALDH3A1 P30838 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ CARM1 Q86X55 1/20 0.35
▸ PRMT6 Q96LA8 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ CACNA1I Q9P0X4 1/20 0.34

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
SCHEMBL25039655 1.00 CA1 (0.39) CA1CA2GAAEPHX1EPHX2
SCHEMBL11935230 1.00 CA1 (0.39) CA1CA2GAAEPHX1EPHX2
SCHEMBL25039281 0.91 CA1 (0.38) CA1CA2GAAEPHX1EPHX2
SCHEMBL30279113 0.86 CNR2 (0.37) GAAALDH1A1ALDH3A1CARM1PRMT6
SCHEMBL25041882 0.86 CNR2 (0.37) GAAALDH1A1ALDH3A1CARM1PRMT6
SCHEMBL25039268 0.86 CA1 (0.43) CA1CA2GAAEPHX1EPHX2
SCHEMBL25039266 0.85 CA1 (0.40) CA1CA2GAAEPHX1EPHX2
SCHEMBL13439172 0.84 LIPC (0.46) CA1CA2CNR2
SCHEMBL11935145 0.84 LIPC (0.46) CA1CA2CNR2
SCHEMBL11935225 0.81 MAPT (0.45) GAAALDH1A1ALDH3A1CARM1PRMT6

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
WO-2023016447-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-02-16 — — WO disclosed
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 — — US disclosed
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 — — US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 — — 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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R CA1 2981/4885CA2 1202/4885GAA 4212/4885

“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.

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