SCHEMBL2641612

SCHEMBL2641612

CN(CCO)c1cccc(C(=O)O)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
ACMSD Q8TDX5 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 1/20 0.41
SLC9A5 Q14940 1/20 0.41
PDE10A Q9Y233 2/20 0.40
POLB P06746 1/20 0.39
NAPEPLD Q6IQ20 1/20 0.39
MGAM O43451 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
PIK3CA P42336 1/20 0.38
HCAR3 P49019 1/20 0.38
ECE1 P42892 1/20 0.38
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 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
SCHEMBL2638747 0.87 KDM4E (0.50) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL2638128 0.84 KDM4E (0.47) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL19065189 0.83 KDM4E (0.53) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL2638044 0.83 KDM4E (0.46) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL3537180 0.82 POLB (0.48) KDM4ETDP1PDE10APOLBL3MBTL1
SCHEMBL5317855 0.79 KDM4E (0.61) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL19065292 0.78 TDP1 (0.40) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL20910016 0.76 POLB (0.43) KDM4ETDP1LMNAPDE10APOLB
SCHEMBL23355624 0.75 KMT2A (0.41) KDM4EALOX15TDP1LMNAPDE10A
SCHEMBL1812488 0.75 HTR7 (0.42) KDM4EPDE10APOLBHCRTR1HCRTR2

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 12 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
CN-102105437-A Adamantyl diamide derivatives and uses of same LUNDBECK & CO AS H 2011-06-22 CN 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 KDM4E 2855/4885ALOX15 3995/4885TSHR 1337/4885
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 KDM4E 2889/4885ALOX15 3985/4885TSHR 1348/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B KDM4E 2749/4885ALOX15 3886/4885TSHR 1530/4885

“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.