SCHEMBL2319741

SCHEMBL2319741

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC3 O15379 2/20 0.46
HDAC2 Q92769 2/20 0.46
KDM1A O60341 2/20 0.44
OPRD1 P41143 2/20 0.44
OPRK1 P41145 2/20 0.44
TACR1 P25103 1/20 0.43
ENPP2 Q13822 1/20 0.43
ATXN2 Q99700 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL5750735 0.85 MEN1 (0.51) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL6161497 0.84 TSHR (0.51) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL30121349 0.83 MEN1 (0.54) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL5751794 0.83 SMN1; SMN2 (0.50) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL27370507 0.81 MEN1 (0.50) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1842426 0.81 MEN1 (0.61) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3498595 0.81 TACR1 (0.49) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL9129570 0.81 SMN1; SMN2 (0.47) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL31397027 0.81 MEN1 (0.49) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL31450033 0.80 MEN1 (0.46) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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 MEN1 2360/4885KMT2A 3489/4885NPSR1 12/4885

“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.