SCHEMBL12205301

SCHEMBL12205301

CN(CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(=N)N

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.60
▸ ACE P12821 4/20 0.59
▸ ERAP2 Q6P179 1/20 0.58
▸ POLB P06746 4/20 0.57
▸ P2RY14 Q15391 1/20 0.57
▸ TP53 P04637 1/20 0.57
▸ ITGB2 P05107 2/20 0.57
▸ ICAM1 P05362 2/20 0.57
▸ ITGAL P20701 2/20 0.57
▸ MEN1 O00255 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ ECE1 P42892 3/20 0.55

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
SCHEMBL30919264 0.87 ALOX15 (0.67) ALOX15ACEPOLBP2RY14TP53
SCHEMBL9027325 0.83 ACE (0.62) ALOX15ACEPOLBP2RY14TP53
SCHEMBL10030546 0.81 ACE (0.71) ALOX15ACEPOLBP2RY14TP53
Urea SCHEMBL2597753 0.81 ERAP2 (0.65) ALOX15ACEERAP2POLBP2RY14
Urea SCHEMBL2597752 0.81 ERAP2 (0.65) ALOX15ACEERAP2POLBP2RY14
SCHEMBL4184041 0.81 ALOX15 (0.72) ALOX15ACEERAP2POLBP2RY14
SCHEMBL4184039 0.81 ALOX15 (0.72) ALOX15ACEERAP2POLBP2RY14
SCHEMBL9487680 0.81 ALOX15 (0.68) ALOX15ACEERAP2POLBP2RY14
SCHEMBL1407978 0.81 ALOX15 (0.68) ALOX15ACEERAP2POLBP2RY14
SCHEMBL1407979 0.81 ALOX15 (0.68) ALOX15ACEERAP2POLBP2RY14

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
US-8445466-B2 Stable aqueous compositions comprising amide-protected bioactive creatine species and uses thereof ENERGY BEVERAGES LLC 2013-05-21 — — US disclosed
US-8445466-B2 Stable aqueous compositions comprising amide-protected bioactive creatine species and uses thereof ENERGY BEVERAGES LLC 2013-05-21 — — US disclosed
US-20110251280-A1 Stable Aqueous Compositions Comprising Amide-Protected Bioactive Creatine Species and Uses Thereof ENERGY BEVERAGES LLC 2011-10-13 — — US disclosed
US-20110251280-A1 Stable Aqueous Compositions Comprising Amide-Protected Bioactive Creatine Species and Uses Thereof ENERGY BEVERAGES LLC 2011-10-13 — — 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-20110251280-A1 Stable Aqueous Compositions Comprising Amide-Protected Bioactive Creatine Species and Uses Thereof REN, CKMT1A; CKMT1B, GLS ALOX15 2361/4885ACE 15/4885ERAP2 359/4885

“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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