SCHEMBL13878649

SCHEMBL13878649

NC(=O)C1CCN(CC(=O)N[C@@]23C[C@H]4C[C@@H](C2)C[C@@](c2ccccc2)(C4)C3)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.51
▸ KMT2A Q03164 5/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ HTT P42858 1/20 0.47
▸ USP2 O75604 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ PSMB5 P28074 1/20 0.43
▸ SMYD3 Q9H7B4 1/20 0.43
▸ HSD11B1 P28845 2/20 0.43
▸ HPGD P15428 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ GRIN2D O15399 1/20 0.41
▸ GRIN3B O60391 1/20 0.41
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2A Q12879 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ GRIN2C Q14957 1/20 0.41
▸ GRIN3A Q8TCU5 1/20 0.41

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
SCHEMBL4216875 1.00 GAA (0.51) GAAKMT2AMEN1HTTUSP2
SCHEMBL13878604 0.89 KMT2A (0.47) KMT2AMEN1USP2SMN1; SMN2ALDH1A1
SCHEMBL19173550 0.89 KMT2A (0.47) KMT2AMEN1USP2SMN1; SMN2ALDH1A1
SCHEMBL4217146 0.89 KMT2A (0.47) KMT2AMEN1USP2SMN1; SMN2ALDH1A1
SCHEMBL4222516 0.88 ALDH1A1 (0.47) KMT2AMEN1USP2SMN1; SMN2ALDH1A1
SCHEMBL13891383 0.88 ALDH1A1 (0.47) KMT2AMEN1USP2SMN1; SMN2ALDH1A1
SCHEMBL13878596 0.88 ALDH1A1 (0.47) KMT2AMEN1USP2SMN1; SMN2ALDH1A1
SCHEMBL4218011 0.81 KDM4E (0.45) KMT2AMEN1USP2SMN1; SMN2ALDH1A1
SCHEMBL13878527 0.81 KDM4E (0.45) KMT2AMEN1USP2SMN1; SMN2ALDH1A1
SCHEMBL13878536 0.81 KDM4E (0.45) KMT2AMEN1USP2SMN1; SMN2ALDH1A1

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-20090093463-A1 NOVEL COMPOUNDS OF SUBSTITUTED AND UNSUBTITUTED ADAMANTYL AMIDES AGOURON PHARMACEUTICALS INC. (US) 2009-04-09 — — 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-20090093463-A1 NOVEL COMPOUNDS OF SUBSTITUTED AND UNSUBTITUTED ADAMANTYL AMIDES HSD11B1, HSD11B2, HSD17B11 GAA 745/4885KMT2A 3107/4885MEN1 2198/4885

“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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