SCHEMBL3356609

SCHEMBL3356609

CC(C)(C)OC(=O)N1CCCC(CCCOCc2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.51
BCHE P06276 4/20 0.51
ACKR3 P25106 1/20 0.51
USP30 Q70CQ3 2/20 0.48
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
KAT7 O95251 1/20 0.47
KAT8 Q9H7Z6 1/20 0.47
KDM1A O60341 1/20 0.47
GPR119 Q8TDV5 3/20 0.46
CYP2C9 P11712 1/20 0.45
STS P08842 1/20 0.44
FEN1 P39748 1/20 0.44
CTSD P07339 1/20 0.44
BACE1 P56817 1/20 0.44

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
SCHEMBL3361572 1.00 HTR6 (0.51) HTR6BCHEACKR3USP30JAK2
SCHEMBL3358109 1.00 HTR6 (0.51) HTR6BCHEACKR3USP30JAK2
SCHEMBL22616960 0.95 ACKR3 (0.52) HTR6BCHEACKR3USP30JAK2
SCHEMBL3358876 0.94 GPR119 (0.53) USP30JAK2JAK1GPR119STS
SCHEMBL3358872 0.94 GPR119 (0.53) USP30JAK2JAK1GPR119STS
SCHEMBL2189494 0.94 GPR119 (0.53) USP30JAK2JAK1GPR119STS
SCHEMBL5229819 0.91 HTR6 (0.50) HTR6BCHEACKR3USP30JAK2
SCHEMBL25383877 0.88 HTR6 (0.50) HTR6BCHEACKR3USP30JAK2
SCHEMBL5235677 0.88 PARP1 (0.46) HTR6BCHEACKR3USP30KAT7
SCHEMBL13777209 0.88 ACKR3 (0.53) HTR6BCHEACKR3USP30JAK2

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-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

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 HTR6 156/4885BCHE 134/4885ACKR3 430/4885
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 HTR6 156/4885BCHE 134/4885ACKR3 430/4885

“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.