SCHEMBL3375744

SCHEMBL3375744

Cn1nc(C(=O)NC23CC4CC(CC(N)(C4)C2)C3)cc1-c1ccco1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
HTT P42858 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PBK Q96KB5 4/20 0.43
CNR2 P34972 9/20 0.41
CNR1 P21554 6/20 0.41
PTGS1 P23219 1/20 0.41
EPHX2 P34913 1/20 0.41
PTGS2 P35354 1/20 0.41
HTR2A P28223 1/20 0.40
FAAH O00519 2/20 0.39
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 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
SCHEMBL3375741 0.89 KDM4E (0.46) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL1580751 0.86 KDM4E (0.46) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL15162742 0.81 KDM4E (0.42) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL3378224 0.81 PBK (0.53) PBKCNR2CNR1PTGS1EPHX2
SCHEMBL3375697 0.80 HTT (0.48) KDM4EHTTPBKCNR2CNR1
SCHEMBL2641143 0.74 GRM5 (0.58) PBKCNR2CNR1DPP8DPP9
SCHEMBL2638166 0.71 EPHX2 (0.51) ALDH1A1MAPTPBKCNR2EPHX2
SCHEMBL892788 0.71 HTR2A (0.50) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL3378219 0.70 PBK (0.42) PBKCNR2CNR1PTGS1EPHX2
SCHEMBL3375771 0.70 PBK (0.46) PBKCNR1EPHX2FAAHDPP8

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 KDM4E 2855/4885ALDH1A1 123/4885MAPT 1627/4885
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 KDM4E 2889/4885ALDH1A1 121/4885MAPT 1614/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B KDM4E 2749/4885ALDH1A1 105/4885MAPT 1656/4885

“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.