SCHEMBL2638457

SCHEMBL2638457

COc1ccnc(C(=O)NC23CC4CC(C2)CC(C(N)=O)(C4)C3)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.47
FAAH O00519 4/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
EPHX2 P34913 2/20 0.46
RAF1 P04049 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PKM P14618 1/20 0.42
PABPC1 P11940 1/20 0.42
GRM5 P41594 2/20 0.40
PBK Q96KB5 1/20 0.40
CFTR P13569 1/20 0.38
ANO1 Q5XXA6 1/20 0.38

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
SCHEMBL2638460 0.87 PBK (0.53) CNR2FAAHKMT2AMEN1EPHX2
SCHEMBL2639229 0.87 RAF1 (0.43) CNR2FAAHEPHX2RAF1PABPC1
SCHEMBL2638132 0.87 RAF1 (0.42) CNR2FAAHEPHX2RAF1PABPC1
SCHEMBL3378048 0.85 PABPC1 (0.45) CNR2FAAHEPHX2RAB9APABPC1
SCHEMBL2638285 0.84 PABPC1 (0.44) FAAHEPHX2RAF1NPC1RAB9A
SCHEMBL3377356 0.84 PABPC1 (0.44) CNR2FAAHKMT2AMEN1EPHX2
SCHEMBL3376407 0.81 CNR2 (0.50) CNR2FAAHKMT2AMEN1NPC1
SCHEMBL2638886 0.81 FAAH (0.73) CNR2FAAHKMT2AMEN1EPHX2
SCHEMBL1579096 0.81 GRM5 (0.53) CNR2FAAHKMT2AMEN1EPHX2
SCHEMBL2638164 0.80 RAB9A (0.56) KMT2AMEN1EPHX2RAB9APABPC1

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 11 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
JP-2011529057-A 2011-12-01 JP claimed
WO-2010011570-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2010-01-28 WO 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 CNR2 1628/4885FAAH 2836/4885KMT2A 3173/4885
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 CNR2 1603/4885FAAH 2727/4885KMT2A 2991/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B CNR2 1681/4885FAAH 2906/4885KMT2A 3089/4885

“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.