SCHEMBL5863579

SCHEMBL5863579

CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)C(=O)N(Cc2ccccn2)CC3)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.47
RORC P51449 1/20 0.44
GPR119 Q8TDV5 2/20 0.44
NAMPT P43490 1/20 0.42
USP30 Q70CQ3 1/20 0.41
ACACB O00763 1/20 0.41
ALK Q9UM73 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
P2RX7 Q99572 1/20 0.40
ACHE P22303 1/20 0.40
GRM5 P41594 1/20 0.40
ESR2 Q92731 1/20 0.40

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 0.86 PDK2 (0.50) PDK2GPR119NAMPTACACBALK
SCHEMBL7237081 0.82 SMN1; SMN2 (0.54) PDK2GPR119NAMPTALDH1A1MAPT
SCHEMBL8627023 0.81 ITGB3 (0.50) PDK2GPR119NAMPTACACBALDH1A1
SCHEMBL7230875 0.80 PDK2 (0.52) PDK2GPR119NAMPTALDH1A1MAPT
SCHEMBL7228535 0.80 PDK2 (0.46) PDK2GPR119NAMPTALDH1A1MAPT
SCHEMBL5864137 0.79 ITGB3 (0.52) RORCALDH1A1KDM4EMAPT
SCHEMBL5863600 0.79 PDK2 (0.50) PDK2RORCGPR119NAMPTALK
SCHEMBL7238134 0.78 PDK2 (0.51) PDK2RORCGPR119NAMPTACACB
SCHEMBL7236437 0.78 GPR119 (0.45) PDK2GPR119NAMPTALDH1A1MAPT
SCHEMBL7239051 0.75 ACACB (0.50) PDK2GPR119NAMPTACACBALDH1A1

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 3260/4885RORC 4362/4885GPR119 245/4885

“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.