SCHEMBL4855029

SCHEMBL4855029

CC(C)(C)OC(=O)NC1CC2CCC(C1)N2Cc1ccc(F)cc1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
OPRK1 P41145 2/20 0.58
MEN1 O00255 2/20 0.56
MAPT P10636 2/20 0.54
DRD3 P35462 1/20 0.54
LTA4H P09960 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
ALPL P05186 1/20 0.48
TSHR P16473 1/20 0.47
CCR3 P51677 1/20 0.47

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
SCHEMBL30201430 0.89 KMT2A (0.73) KMT2AL3MBTL1OPRK1MEN1MAPT
SCHEMBL29725667 0.89 KMT2A (0.73) KMT2AL3MBTL1OPRK1MEN1MAPT
SCHEMBL1851171 0.88 KMT2A (0.91) KMT2AL3MBTL1OPRK1MEN1
SCHEMBL29410965 0.83 L3MBTL1 (1.00) KMT2AL3MBTL1OPRK1
SCHEMBL20967988 0.83 L3MBTL1 (1.00) KMT2AL3MBTL1OPRK1
SCHEMBL4794886 0.83 L3MBTL1 (1.00) KMT2AL3MBTL1OPRK1
SCHEMBL3351581 0.82 SIGMAR1 (0.60) DRD3CCR3
SCHEMBL29725634 0.82 KMT2A (0.72) KMT2AL3MBTL1OPRK1MEN1MAPT
SCHEMBL3873002 0.81 OPRK1 (0.58) KMT2AL3MBTL1OPRK1MEN1MAPT
SCHEMBL3873003 0.81 OPRK1 (0.58) KMT2AL3MBTL1OPRK1MEN1MAPT

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-7456192-B2 3β-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof PIERRE FABRE MEDICAMENT (FR) 2008-11-25 US disclosed
EP-1440075-B1 NOVEL 3BETA-AMINO AZABICYCLOOCTANE HETEROAROMATIC AMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USES THEREOF PF MEDICAMENT (FR) 2005-06-08 EP disclosed
US-20050080085-A1 Novel 3beta-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof PIERRE FABRE MEDICAMENT (FR) 2005-04-14 US disclosed
EP-1440075-A1 NOVEL 3BETA-AMINO AZABICYCLOOCTANE HETEROAROMATIC AMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USES THEREOF PIERRE FABRE MEDICAMENT (FR) 2004-07-28 EP disclosed
WO-2003037904-A1 NOVEL 3BETA-AMINO AZABICYCLOOCTANE HETEROAROMATIC AMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USES THEREOF PIERRE FABRE MEDICAMENT (FR) 2003-05-08 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-20050080085-A1 Novel 3beta-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof AOC3, MAOB, AOC1 KMT2A 2929/4885L3MBTL1 2042/4885OPRK1 374/4885

“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.