SCHEMBL4228215

SCHEMBL4228215

O=C(CN1CCc2ccccc2C1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.59
▸ PSMB5 P28074 1/20 0.58
▸ DPP4 P27487 1/20 0.58
▸ CNR2 P34972 1/20 0.58
▸ KDM4E B2RXH2 2/20 0.56
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ HSD11B1 P28845 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ CACNA1H O95180 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ GFER P55789 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ PRMT5 O14744 1/20 0.50
▸ WDR77 Q9BQA1 1/20 0.50
▸ HDAC3 O15379 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50

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
SCHEMBL4212783 0.91 PSMB5 (0.65) ALDH1A1PSMB5DPP4CNR2KDM4E
SCHEMBL13878521 0.85 ALDH1A1 (0.50) ALDH1A1PSMB5DPP4MEN1KMT2A
SCHEMBL13878531 0.85 ALDH1A1 (0.50) ALDH1A1PSMB5DPP4MEN1KMT2A
SCHEMBL4215119 0.85 ALDH1A1 (0.50) ALDH1A1PSMB5DPP4MEN1KMT2A
SCHEMBL13878537 0.82 ALDH1A1 (0.51) ALDH1A1PSMB5DPP4KDM4EMEN1
SCHEMBL13878525 0.82 ALDH1A1 (0.51) ALDH1A1PSMB5DPP4KDM4EMEN1
SCHEMBL4212340 0.79 L3MBTL1 (0.56) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL4215304 0.77 EPHX2 (0.65) ALDH1A1PSMB5KDM4EMEN1KMT2A
SCHEMBL4665324 0.76 MEN1 (0.64) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL19173989 0.76 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1KMT2AL3MBTL1

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 5 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
US-20090093463-A1 NOVEL COMPOUNDS OF SUBSTITUTED AND UNSUBTITUTED ADAMANTYL AMIDES AGOURON PHARMACEUTICALS INC. (US) 2009-04-09 — — US disclosed
EP-1812407-A2 NOVEL COMPOUNDS OF SUBSTITUTED AND UNSUBSTITUTED ADAMANTYL AMIDES Pfizer, Inc. (US) 2007-08-01 — — EP disclosed
WO-2006048750-A2 NOVEL COMPOUNDS OF SUBSTITUTED AND UNSUBSTITUTED ADAMANTYL AMIDES PFIZER INC. (US) 2006-05-11 — — WO 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 50/4885PSMB5 1870/4885DPP4 711/4885

“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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