SCHEMBL5863600

SCHEMBL5863600

CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)CCN(Cc2ccccc2)C3=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.50
GRM5 P41594 1/20 0.49
P2RX7 Q99572 1/20 0.48
NAMPT P43490 1/20 0.46
GPR119 Q8TDV5 1/20 0.44
TMEM97 Q5BJF2 4/20 0.44
SIGMAR1 Q99720 4/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
RORC P51449 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALK Q9UM73 1/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
ACHE P22303 1/20 0.43
SCD O00767 1/20 0.42

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
SCHEMBL5863853 0.92 PDK2 (0.50) PDK2GRM5P2RX7NAMPTGPR119
SCHEMBL7238134 0.85 PDK2 (0.51) PDK2P2RX7NAMPTGPR119TMEM97
SCHEMBL7237081 0.84 SMN1; SMN2 (0.54) PDK2P2RX7NAMPTGPR119ALDH1A1
SCHEMBL29893814 0.80 PRMT5 (0.62)
SCHEMBL29871953 0.80 PRMT5 (0.62)
SCHEMBL24927848 0.80 PRMT5 (0.62)
SCHEMBL28825095 0.80 PRMT5 (0.62)
SCHEMBL8627023 0.79 ITGB3 (0.50) PDK2NAMPTGPR119ALDH1A1MAPT
SCHEMBL5863579 0.79 PDK2 (0.47) PDK2GRM5P2RX7NAMPTGPR119
SCHEMBL23298873 0.78 PRMT5 (0.59)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030120-B2 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-18 US disclosed
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same OHKURA NAOTO (JP) 2004-11-11 US disclosed
US-6777414-B1 INHIBITORS OF TRIGLYCERIDE BIOSYNTHESIS AND SECRETION OF APOLIPOPROTEIN B-CONTAINING LIPOPROTEINS; ARTERIOSCLEROTIC DISEASES; HYPERLIPIDEMIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-17 US disclosed
EP-1180514-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2002-02-20 EP 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 (1 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-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same APOB, NCEH1, LIPC PDK2 3260/4885GRM5 3756/4885P2RX7 4520/4885

“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.