SCHEMBL3358872

SCHEMBL3358872

CC(C)(C)OC(=O)N1CCC(CCCOCc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.53
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51
JAK2 O60674 1/20 0.51
JAK1 P23458 1/20 0.51
STS P08842 1/20 0.48
YAP1 P46937 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
USP30 Q70CQ3 1/20 0.45

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
SCHEMBL3358876 1.00 GPR119 (0.53) GPR119KDM4EPKMJAK2JAK1
SCHEMBL2189494 1.00 GPR119 (0.53) GPR119KDM4EPKMJAK2JAK1
SCHEMBL3356609 0.94 HTR6 (0.51) GPR119JAK2JAK1STSUSP30
SCHEMBL3358109 0.94 HTR6 (0.51) GPR119JAK2JAK1STSUSP30
SCHEMBL3361572 0.94 HTR6 (0.51) GPR119JAK2JAK1STSUSP30
SCHEMBL3251863 0.89 KDM4E (0.58) GPR119KDM4EPKMJAK2JAK1
SCHEMBL22616960 0.88 ACKR3 (0.52) GPR119KDM4EPKMJAK2JAK1
SCHEMBL27378608 0.86 KDM4E (0.56) GPR119KDM4EPKMJAK2JAK1
SCHEMBL8263539 0.85 KDM4E (0.56) GPR119KDM4EPKMJAK2JAK1
SCHEMBL2186021 0.85 TEAD3 (0.48) KDM4E

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 9 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-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
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 GPR119 223/4885KDM4E 2600/4885PKM 3482/4885
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 GPR119 223/4885KDM4E 2600/4885PKM 3482/4885

“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.