SCHEMBL13878591

SCHEMBL13878591

O=C(NC12CC3CC(C1)CC(c1ccccc1)(C3)C2)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ LMNA P02545 1/20 0.47
▸ FAAH O00519 3/20 0.46
▸ CNR2 P34972 3/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ FKBP1A P62942 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ GRIN2D O15399 1/20 0.44
▸ GRIN3B O60391 1/20 0.44
▸ GRIN1 Q05586 1/20 0.44
▸ GRIN2A Q12879 1/20 0.44
▸ GRIN2B Q13224 1/20 0.44
▸ GRIN2C Q14957 1/20 0.44
▸ GRIN3A Q8TCU5 1/20 0.44
▸ USP2 O75604 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL13878524 0.92 KMT2A (0.46) EPHX2KMT2AMEN1LMNAFAAH
SCHEMBL16665110 0.90 EPHX2 (0.53) EPHX2KMT2AMEN1FAAHCNR2
SCHEMBL21310438 0.85 EPHX2 (0.49) EPHX2KMT2AMEN1FAAHCNR2
SCHEMBL18069744 0.84 TSHR (0.49) EPHX2KMT2AMEN1LMNAFAAH
SCHEMBL4212248 0.81 KMT2A (0.60) EPHX2KMT2AMEN1LMNAFAAH
SCHEMBL26661411 0.79 EPHX2 (0.44) EPHX2KMT2AMEN1FAAHCNR2
SCHEMBL19173532 0.78 KMT2A (0.57) EPHX2KMT2AMEN1LMNAFAAH
SCHEMBL29120513 0.78 EPHX2 (0.43) EPHX2KMT2AMEN1FAAHCNR2
SCHEMBL4215171 0.78 KMT2A (0.51) EPHX2KMT2AMEN1LMNAFAAH
SCHEMBL13733943 0.77 EPHX2 (0.50) EPHX2KMT2AMEN1FAAHCNR2

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 EPHX2 1942/4885KMT2A 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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