SCHEMBL3377347

SCHEMBL3377347

Cc1ccnc(C(=O)NC23CC4CC(C2)CC(C(N)=O)(C4)C3)n1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
PBK Q96KB5 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD11B1 P28845 2/20 0.40
EPHX2 P34913 1/20 0.40
GRM5 P41594 2/20 0.39
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CNR2 P34972 1/20 0.37
PABPC1 P11940 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL3377353 0.86 PBK (0.55) KDM4EPBKMEN1KMT2AEPHX2
SCHEMBL2638349 0.82 CNR2 (0.45) PBKMEN1KMT2AHSD11B1GRM5
SCHEMBL2638230 0.82 GRM5 (0.45) PBKMEN1KMT2AHSD11B1GRM5
SCHEMBL1878904 0.81 GRM5 (0.45) PBKMEN1KMT2AEPHX2GRM5
SCHEMBL1578338 0.81 GRM5 (0.54) PBKEPHX2GRM5CNR2PABPC1
SCHEMBL2278187 0.81 GRM5 (0.51) HSD11B1GRM5CNR2
SCHEMBL1882852 0.81 GRM5 (0.56) KDM4EMEN1KMT2AEPHX2GRM5
SCHEMBL1882675 0.80 PABPC1 (0.62) KDM4EPBKEPHX2GRM5ALDH1A1
SCHEMBL1578957 0.80 GRM5 (0.46) PBKMEN1KMT2AEPHX2GRM5
SCHEMBL1578630 0.78 GRM5 (0.42) GRM5PABPC1

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 2855/4885PBK 4394/4885MEN1 78/4885
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 KDM4E 2889/4885PBK 4419/4885MEN1 79/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B KDM4E 2749/4885PBK 4400/4885MEN1 67/4885

“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.