SCHEMBL7929370

SCHEMBL7929370

COC(=O)C(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
EPHX1 P07099 1/20 0.43
NR1H2 P55055 1/20 0.43
HPGD P15428 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
YAP1 P46937 1/20 0.41
GPR119 Q8TDV5 2/20 0.40
EED O75530 1/20 0.40
RBBP4 Q09028 1/20 0.40
SUZ12 Q15022 1/20 0.40
EZH2 Q15910 1/20 0.40
AEBP2 Q6ZN18 1/20 0.40
RECQL P46063 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL18497396 0.92 KDM4E (0.49) KDM4EPKMEPHX1HPGDALDH1A1
SCHEMBL6059081 0.88 NR1H2 (0.45) KDM4EPKMEPHX1NR1H2HPGD
SCHEMBL23116285 0.87 NR1H2 (0.46) KDM4EPKMEPHX1NR1H2HPGD
SCHEMBL21565707 0.87 NR1H2 (0.46) KDM4EPKMEPHX1NR1H2HPGD
SCHEMBL18497568 0.85 KDM4E (0.48) KDM4EPKMEPHX1NR1H2HPGD
SCHEMBL6059034 0.83 NR1H2 (0.43) KDM4EPKMNR1H2HPGDALDH1A1
SCHEMBL22081119 0.83 NR1H2 (0.47) KDM4EPKMEPHX1NR1H2HPGD
SCHEMBL17562352 0.83 NR1H2 (0.47) KDM4EPKMEPHX1NR1H2HPGD
SCHEMBL25315068 0.83 NR1H2 (0.47) KDM4EPKMEPHX1NR1H2HPGD
SCHEMBL22081121 0.83 NR1H2 (0.47) KDM4EPKMEPHX1NR1H2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-07-18 US disclosed
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-07-18 US disclosed
US-8445684-B2 Nicotinic acetylcholine receptor ligands and the uses thereof PsycoGenics Inc. (US) 2013-05-21 US disclosed
US-8445684-B2 Nicotinic acetylcholine receptor ligands and the uses thereof PsycoGenics Inc. (US) 2013-05-21 US disclosed
US-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF PSYCHOGENICS, INC. (US) 2010-06-17 US disclosed
US-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF PSYCHOGENICS, INC. (US) 2010-06-17 US disclosed
WO-2010045212-A2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF PSYCHOGENICS, INCSTATUTS (US) 2010-04-22 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-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 KDM4E 2600/4885PKM 3482/4885EPHX1 1004/4885
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 KDM4E 2600/4885PKM 3482/4885EPHX1 1004/4885

“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.