SCHEMBL3378340

SCHEMBL3378340

NC(=O)C12CC3CC(CC(NC(=O)c4cc(C5CC5)n[nH]4)(C3)C1)C2

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PBK Q96KB5 2/20 0.39
HSD11B1 P28845 2/20 0.38
CNR2 P34972 5/20 0.37
CNR1 P21554 1/20 0.36
PLA2G7 Q13093 1/20 0.35
POLB P06746 2/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL3378345 0.86 PBK (0.51) PBKCNR2CNR1PLA2G7POLB
SCHEMBL1580319 0.78 PABPC1 (0.60) PBKCNR2KDM4EHSD17B10
SCHEMBL3377589 0.76 SMYD3 (0.46)
SCHEMBL15163186 0.74 PABPC1 (0.42) PBKCNR2CNR1KDM4EHSD17B10
SCHEMBL1578572 0.72 CNR2 (0.39) PBKHSD11B1CNR2CNR1POLB
SCHEMBL3373935 0.72 KMT2A (0.53) CNR2POLBKDM4EMEN1KMT2A
SCHEMBL3375695 0.71 HTT (0.47) HSD11B1CNR2CNR1POLB
SCHEMBL2638913 0.71 FAAH (0.67) HSD11B1CNR2POLBKDM4EMEN1
SCHEMBL2638165 0.70 EPHX2 (0.49) HSD11B1CNR2
SCHEMBL2638159 0.70 KDM4E (0.52) HSD11B1CNR2POLBKDM4EMEN1

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 PBK 4394/4885HSD11B1 442/4885CNR2 1628/4885
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 PBK 4419/4885HSD11B1 386/4885CNR2 1603/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B PBK 4400/4885HSD11B1 318/4885CNR2 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.