SCHEMBL3378048

SCHEMBL3378048

NC(=O)C12CC3CC(CC(NC(=O)c4cc(O)ccn4)(C3)C1)C2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.45
ANO1 Q5XXA6 3/20 0.43
FAAH O00519 2/20 0.43
PBK Q96KB5 2/20 0.42
GRM5 P41594 2/20 0.41
KDM4E B2RXH2 2/20 0.40
CNR2 P34972 1/20 0.40
MAPT P10636 1/20 0.40
AGTR1 P30556 1/20 0.40
OPRK1 P41145 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
HSD11B1 P28845 2/20 0.40
EPHX2 P34913 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL2638285 0.88 PABPC1 (0.44) PABPC1ANO1FAAHPBKGRM5
SCHEMBL3377356 0.88 PABPC1 (0.44) PABPC1ANO1FAAHPBKGRM5
SCHEMBL3378051 0.86 PBK (0.56) PABPC1ANO1FAAHPBKGRM5
SCHEMBL2638457 0.85 CNR2 (0.47) PABPC1ANO1FAAHPBKGRM5
SCHEMBL2638164 0.84 RAB9A (0.56) PABPC1GRM5KDM4EMAPTAGTR1
SCHEMBL2638132 0.82 RAF1 (0.42) PABPC1ANO1FAAHPBKGRM5
SCHEMBL2637964 0.81 PABPC1 (0.70) PABPC1PBKGRM5KDM4ECNR2
SCHEMBL2638230 0.81 GRM5 (0.45) PABPC1PBKGRM5HSD11B1
SCHEMBL2639229 0.81 RAF1 (0.43) PABPC1ANO1FAAHPBKGRM5
SCHEMBL2638142 0.81 EPHX2 (0.46) PABPC1PBKGRM5HSD11B1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2310356-B1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME LUNDBECK & CO AS H (DK) 2013-08-14 EP claimed
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2010-01-28 US claimed
US-8716284-B2 Adamantyl diamide derivatives and uses of same H. LUNDBECK A/S (DK) 2014-05-06 US disclosed
EP-2310356-B1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME LUNDBECK & CO AS H (DK) 2013-08-14 EP disclosed
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2013-07-18 US disclosed
US-8389519-B2 Adamantyl diamide derivatives and uses of same H. LUNDBECK A/S (DK) 2013-03-05 US disclosed
US-20120270873-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2012-10-25 US disclosed
US-8198275-B2 Adamantyl diamide derivatives and uses of same H. LUNDBECK A/S (DK) 2012-06-12 US disclosed
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2010-01-28 US 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-20120270873-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 PABPC1 3961/4885ANO1 150/4885FAAH 2836/4885
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 PABPC1 4007/4885ANO1 127/4885FAAH 2727/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B PABPC1 3818/4885ANO1 109/4885FAAH 2906/4885

“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.