SCHEMBL7928638

SCHEMBL7928638

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
FAAH O00519 1/20 0.44
EPHX1 P07099 1/20 0.44
NR1H2 P55055 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
GPR119 Q8TDV5 3/20 0.42
RECQL P46063 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
SCHEMBL594491 0.93 KDM4E (0.51) KDM4EPKMFAAHEPHX1ALDH1A1
SCHEMBL20558210 0.92 ALDH1A1 (0.49) EPHX1NR1H2ALDH1A1HPGDMEN1
SCHEMBL21774655 0.89 KDM4E (0.41) KDM4EPKMFAAHEPHX1NR1H2
SCHEMBL21774656 0.89 KDM4E (0.41) KDM4EPKMFAAHEPHX1NR1H2
SCHEMBL18505885 0.88 NR1H2 (0.51) KDM4EPKMFAAHEPHX1NR1H2
SCHEMBL28577157 0.88 KDM4E (0.47) KDM4EPKMFAAHEPHX1ALDH1A1
SCHEMBL24272306 0.87 GPR119 (0.43) KDM4EPKMFAAHEPHX1NR1H2
SCHEMBL26619731 0.86 ALDH1A1 (0.45) KDM4EPKMFAAHEPHX1NR1H2
SCHEMBL23006556 0.86 ALDH1A1 (0.45) KDM4EPKMFAAHEPHX1NR1H2
SCHEMBL32687346 0.86 ALDH1A1 (0.45) KDM4EPKMFAAHEPHX1NR1H2

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 3482/4885FAAH 1201/4885
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 KDM4E 2600/4885PKM 3482/4885FAAH 1201/4885

“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.