SCHEMBL4855022

SCHEMBL4855022

CC(C)(C)N(C(=O)O)C1CC2CCC(C1)N2Cc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
OPRK1 P41145 1/20 0.46
SLC6A4 P31645 1/20 0.43
UBE2M P61081 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.43
DRD2 P14416 4/20 0.43
DRD4 P21917 4/20 0.43
DRD3 P35462 3/20 0.43
SLC6A2 P23975 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4300301 0.89 L3MBTL1 (0.51) LTA4HOPRK1UBE2MDCUN1D1KMT2A
SCHEMBL4859771 0.81 CHRM2 (0.41) OPRK1UBE2MDCUN1D1MEN1KMT2A
SCHEMBL5672524 0.80 SIGMAR1 (0.50) UBE2MDCUN1D1
SCHEMBL1920967 0.75 HTT (0.53) UBE2MDCUN1D1KMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL30201583 0.73 LTA4H (0.48) LTA4HOPRK1SLC6A4DRD2DRD4
SCHEMBL6153361 0.72 DRD2 (0.54) LTA4HOPRK1DRD2DRD4DRD3
SCHEMBL4855029 0.72 KMT2A (0.71) LTA4HOPRK1DRD3MAPTMEN1
SCHEMBL5354513 0.71 USP2 (0.51) LTA4HOPRK1UBE2MDCUN1D1MEN1
SCHEMBL4859595 0.71 OPRM1 (0.36) SLC6A4DRD2DRD4DRD3SLC6A2
SCHEMBL3873002 0.70 OPRK1 (0.58) LTA4HOPRK1DRD3MAPTMEN1

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 LTA4H 2910/4885OPRK1 374/4885SLC6A4 1536/4885

“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.