SCHEMBL2319243

SCHEMBL2319243

CC(C)(C)OC(=O)C1(C2=CCN(C(=O)OCc3ccccc3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TMEM97 Q5BJF2 3/20 0.42
SIGMAR1 Q99720 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
PARP1 P09874 1/20 0.42
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.40
PDK4 Q16654 2/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
GRM1 Q13255 1/20 0.40
LNPEP Q9UIQ6 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL6161497 0.79 TSHR (0.51) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL31173459 0.77 TMEM97 (0.60) TMEM97SIGMAR1
SCHEMBL17886619 0.77 GRM5 (0.55) GRM5MEN1KMT2ANPSR1TMEM97
SCHEMBL25201639 0.77 NAMPT (0.50) GRM5MEN1KMT2ANPSR1TMEM97
SCHEMBL18204379 0.77 MEN1 (0.46) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL31397205 0.77 GRM5 (0.50) GRM5MEN1KMT2ANPSR1TMEM97
SCHEMBL5750735 0.76 MEN1 (0.51) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL34461417 0.75 KDM1A (0.46) GRM5MEN1KMT2ANPSR1TMEM97
SCHEMBL34461404 0.75 KDM1A (0.46) GRM5MEN1KMT2ANPSR1TMEM97
SCHEMBL5748771 0.75 GRM5 (0.47) GRM5MEN1KMT2ANPSR1PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2011-09-22 US disclosed
US-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2011-09-22 US disclosed
US-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2011-09-22 US disclosed
EP-2352730-A2 BIOLOGICALLY ACTIVE AMIDES H. Lundbeck A/S (DK) 2011-08-10 EP disclosed
WO-2010053861-A2 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2010-05-14 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 (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-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES NPY5R, NPY1R, NPY2R GRM5 63/4885MEN1 2360/4885KMT2A 3489/4885

“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.