SCHEMBL2638352

SCHEMBL2638352

Cc1cc(C(=O)NC23CC4CC(CC(N)(C4)C2)C3)ccn1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PBK Q96KB5 4/20 0.55
TSHR P16473 1/20 0.45
CNR2 P34972 3/20 0.44
PKM P14618 1/20 0.44
FAAH O00519 3/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GRM5 P41594 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42

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
SCHEMBL2638349 0.86 CNR2 (0.45) PBKTSHRCNR2PKMFAAH
SCHEMBL2638471 0.86 PBK (0.55) PBKTSHRCNR2FAAHPOLB
SCHEMBL2638560 0.86 PBK (0.55) PBKTSHRCNR2PKMFAAH
SCHEMBL3376411 0.85 PBK (0.53) PBKTSHRCNR2PKMFAAH
SCHEMBL3376868 0.84 PBK (0.51) PBKTSHRCNR2PKMFAAH
SCHEMBL3373940 0.83 PBK (0.56) PBKTSHRCNR2FAAHPOLB
SCHEMBL3377353 0.81 PBK (0.55) PBKTSHRCNR2POLBMEN1
SCHEMBL1579145 0.81 GRM5 (0.58) TSHRCNR2PKMFAAHGRM5
SCHEMBL2637659 0.80 PBK (0.53) PBKTSHRCNR2PKMFAAH
SCHEMBL1578617 0.79 PBK (0.58) PBKTSHRMEN1KMT2AGRM5

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 PBK 4394/4885TSHR 1337/4885CNR2 1628/4885
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 PBK 4419/4885TSHR 1348/4885CNR2 1603/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B PBK 4400/4885TSHR 1530/4885CNR2 1681/4885

“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.