SCHEMBL4300301

SCHEMBL4300301

CC(C)(C)N(C(=O)O)C1CC2CCC(C1)N2Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
KMT2A Q03164 1/20 0.51
UBE2M P61081 1/20 0.50
DCUN1D1 Q96GG9 1/20 0.50
USP2 O75604 1/20 0.48
OPRK1 P41145 8/20 0.46
KCNH2 Q12809 7/20 0.46
OPRM1 P35372 4/20 0.46
OPRD1 P41143 1/20 0.46
ARG1 P05089 1/20 0.45
ARG2 P78540 1/20 0.45
LTA4H P09960 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL4855022 0.89 LTA4H (0.46) KMT2AUBE2MDCUN1D1OPRK1LTA4H
SCHEMBL4859771 0.84 CHRM2 (0.41) L3MBTL1KMT2AUBE2MDCUN1D1USP2
SCHEMBL5354513 0.82 USP2 (0.51) L3MBTL1KMT2AUBE2MDCUN1D1USP2
SCHEMBL1306000 0.78 OPRM1 (0.61) KCNH2OPRM1
SCHEMBL22582397 0.77 USP2 (0.58) L3MBTL1KMT2AUBE2MDCUN1D1USP2
SCHEMBL22582396 0.77 USP2 (0.58) L3MBTL1KMT2AUBE2MDCUN1D1USP2
SCHEMBL22582398 0.77 USP2 (0.58) L3MBTL1KMT2AUBE2MDCUN1D1USP2
SCHEMBL15292056 0.77 KCNH2 (0.50) L3MBTL1KMT2AUBE2MDCUN1D1USP2
SCHEMBL31210696 0.77 L3MBTL1 (0.57) L3MBTL1KMT2AUBE2MDCUN1D1USP2
SCHEMBL1307812 0.76 OPRM1 (0.55) KCNH2OPRM1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
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-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP 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 (2 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 L3MBTL1 2042/4885KMT2A 2929/4885UBE2M 3115/4885
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ L3MBTL1 2344/4885KMT2A 2825/4885UBE2M 258/4885

“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.