SCHEMBL4849720

SCHEMBL4849720

COc1c(C(=O)O)oc2cccnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 3/20 0.46
BRD4 O60885 1/20 0.41
KDM4E B2RXH2 5/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
TSHR P16473 2/20 0.39
APEX1 P27695 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ATM Q13315 1/20 0.38
POLB P06746 2/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM6B O15054 1/20 0.36

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
SCHEMBL13925859 0.87 KDM4E (0.40) EDNRABRD4KDM4EL3MBTL1TSHR
SCHEMBL13255440 0.83 P2RX7 (0.42) BRD4KDM4EL3MBTL1TSHRALDH1A1
SCHEMBL4854522 0.82 KDM4E (0.48) BRD4KDM4EL3MBTL1TSHRALDH1A1
SCHEMBL13255592 0.82 L3MBTL1 (0.37) EDNRABRD4KDM4EL3MBTL1TSHR
SCHEMBL4140971 0.80 EDNRA (0.49) EDNRABRD4KDM4EL3MBTL1TSHR
SCHEMBL9693742 0.78 TSHR (0.45) EDNRABRD4KDM4EL3MBTL1TSHR
SCHEMBL17440438 0.76 KDM4E (0.41) EDNRABRD4KDM4EL3MBTL1TSHR
SCHEMBL4851465 0.76 KDM4E (0.40) EDNRAKDM4EL3MBTL1TSHRAPEX1
SCHEMBL1760957 0.74 CA12 (0.56) EDNRAKDM4EALDH1A1HPGDRAB9A
SCHEMBL13926095 0.74 MEN1 (0.41) BRD4KDM4EL3MBTL1ALDH1A1HPGD

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 6 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 claimed
EP-1440075-B1 NOVEL 3BETA-AMINO AZABICYCLOOCTANE HETEROAROMATIC AMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USES THEREOF PF MEDICAMENT (FR) 2005-06-08 EP claimed
US-20050080085-A1 Novel 3beta-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof PIERRE FABRE MEDICAMENT (FR) 2005-04-14 US claimed
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

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 EDNRA 1079/4885BRD4 175/4885KDM4E 2970/4885

“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.