SCHEMBL23922040

SCHEMBL23922040

CC(C)(C)OC(=O)N1CCC(OCCOCCN=[N+]=[N-])CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.40
▸ RECQL P46063 1/20 0.39
▸ EPHX1 P07099 1/20 0.39
▸ GPR119 Q8TDV5 7/20 0.39
▸ PRMT5 O14744 1/20 0.39
▸ WDR77 Q9BQA1 1/20 0.39
▸ TGFBR1 P36897 1/20 0.37
▸ KEAP1 Q14145 1/20 0.37
▸ NFE2L2 Q16236 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL30324928 1.00 HPGD (0.40) HPGDRECQLEPHX1GPR119PRMT5
SCHEMBL29874341 0.93 PRMT5 (0.41) HPGDRECQLEPHX1GPR119PRMT5
SCHEMBL20362162 0.82 MGMT (0.30) —
SCHEMBL15362664 0.82 HPGD (0.46) HPGDRECQLEPHX1GPR119PRMT5
SCHEMBL21458709 0.82 HPGD (0.46) HPGDRECQLEPHX1GPR119PRMT5
SCHEMBL21458682 0.82 HPGD (0.46) HPGDRECQLEPHX1GPR119PRMT5
SCHEMBL30869902 0.82 HPGD (0.46) HPGDRECQLEPHX1GPR119PRMT5
SCHEMBL16302472 0.82 HPGD (0.46) HPGDRECQLEPHX1GPR119PRMT5
SCHEMBL21458526 0.81 HPGD (0.45) HPGDRECQLEPHX1GPR119PRMT5
SCHEMBL21458885 0.81 HPGD (0.45) HPGDRECQLEPHX1GPR119PRMT5

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-11147884-B2 Inhibitors of NHE-mediated antiport ARDELYX, INC. (US) 2021-10-19 — — 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-11147884-B2 Inhibitors of NHE-mediated antiport SLC10A1, SLC10A2, SLC9A2 HPGD 384/4885RECQL 2300/4885EPHX1 1906/4885

“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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