SCHEMBL13878596

SCHEMBL13878596

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ USP2 O75604 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ HPGD P15428 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ PSMB5 P28074 1/20 0.42
▸ HSD11B1 P28845 3/20 0.41
▸ CACNA1H O95180 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL13891383 1.00 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL4222516 1.00 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL13878620 0.90 KMT2A (0.47) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL4212571 0.90 KMT2A (0.47) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL13891347 0.90 KMT2A (0.47) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL4216875 0.88 GAA (0.51) ALDH1A1KMT2AMEN1USP2SMN1; SMN2
SCHEMBL13878649 0.88 GAA (0.51) ALDH1A1KMT2AMEN1USP2SMN1; SMN2
SCHEMBL13878604 0.87 KMT2A (0.47) ALDH1A1KMT2AMEN1USP2SMN1; SMN2
SCHEMBL19173550 0.87 KMT2A (0.47) ALDH1A1KMT2AMEN1USP2SMN1; SMN2
SCHEMBL4217146 0.87 KMT2A (0.47) ALDH1A1KMT2AMEN1USP2SMN1; SMN2

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 2 patents. 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
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 ALDH1A1 50/4885KMT2A 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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