SCHEMBL5099893

SCHEMBL5099893

CC(C)(C)OC(=O)N1CCN(CC(=O)c2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.54
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
VEGFA P15692 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
STS P08842 1/20 0.47
POLB P06746 1/20 0.46
P2RX7 Q99572 1/20 0.45
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL5819280 0.84 KMT2A (0.64) CNR1ALDH1A1LMNAMAPTMEN1
SCHEMBL17513187 0.81 VEGFA (0.59) CNR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL26923721 0.81 KMT2A (0.51) CNR1ALDH1A1LMNAMAPTMEN1
SCHEMBL29839089 0.81 KMT2A (0.51) CNR1ALDH1A1LMNAMAPTMEN1
SCHEMBL30702534 0.80 HTR2A (0.54) ALDH1A1KMT2ACHRM2CHRM4CHRM1
SCHEMBL30208133 0.79 MEN1 (0.58) CNR1ALDH1A1LMNAMAPTMEN1
SCHEMBL2365793 0.79 MEN1 (0.58) CNR1ALDH1A1LMNAMAPTMEN1
SCHEMBL18917684 0.79 VEGFA (0.59) CNR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL5100031 0.79 ALDH1A1 (0.63) ALDH1A1LMNAMAPTKMT2APOLB
SCHEMBL5705838 0.78 STS (0.58) CNR1MEN1KMT2ASTSNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106478550-B A kind of ULK1 small molecule agonists and its application in antitumor drug 四川大学 2018-11-06 CN disclosed
CN-106478550-A A kind of ULK1 small molecule agonist and its application in antitumor drug 四川大学 2017-03-08 CN disclosed
US-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 US disclosed
US-7045519-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-16 US disclosed
US-7037918-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-02 US disclosed
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-04-27 US disclosed
EP-1087963-B1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORP (US) 2004-08-25 EP disclosed
US-20030130289-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2003-07-10 US disclosed
EP-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP disclosed
US-6489344-B1 FOR TREATMENT DIABETES IN A HUMAN OR ANIMAL SUBJECT CHIRON CORPORATION 2002-12-03 US disclosed
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2002-10-24 US disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 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 (3 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-20030130289-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB CNR1 3674/4885ALDH1A1 3522/4885LMNA 946/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB CNR1 3667/4885ALDH1A1 3532/4885LMNA 985/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB CNR1 3667/4885ALDH1A1 3532/4885LMNA 985/4885

“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.