SCHEMBL2637658

SCHEMBL2637658

NC(=O)C12CC3CC(CC(NC(=O)c4cccc(-c5ncccn5)c4)(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.48
KDM1A O60341 2/20 0.45
MAOB P27338 2/20 0.45
MAOA P21397 1/20 0.45
CNR2 P34972 6/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 1/20 0.43
PBK Q96KB5 1/20 0.40
GRM5 P41594 1/20 0.40
POLB P06746 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
SCHEMBL2637659 0.87 PBK (0.53) FAAHKDM1AMAOBMAOACNR2
SCHEMBL3376419 0.83 FAAH (0.70) FAAHCNR2KMT2AMEN1TSHR
SCHEMBL2638487 0.82 GRM5 (0.53) FAAHCNR2KMT2AMEN1ATM
SCHEMBL3377748 0.82 FAAH (0.52) FAAHCNR2KMT2AMEN1ATM
SCHEMBL2638913 0.81 FAAH (0.67) FAAHCNR2KMT2AMEN1TSHR
SCHEMBL2638349 0.81 CNR2 (0.45) FAAHCNR2KMT2AMEN1TSHR
SCHEMBL2638469 0.81 CNR2 (0.42) FAAHCNR2KMT2ATSHRATM
SCHEMBL2638557 0.81 CNR2 (0.42) FAAHCNR2KMT2AMEN1TSHR
SCHEMBL2638075 0.81 FAAH (0.55) FAAHCNR2KMT2AMEN1ATM
SCHEMBL3377026 0.80 TSHR (0.71) FAAHKMT2AMEN1TSHRGRM5

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 FAAH 2836/4885KDM1A 1524/4885MAOB 1682/4885
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 FAAH 2727/4885KDM1A 1466/4885MAOB 1646/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B FAAH 2906/4885KDM1A 1297/4885MAOB 1846/4885

“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.