SCHEMBL2638366

SCHEMBL2638366

NC(=O)C12CC3CC(CC(NC(=O)C4CCC4)(C3)C1)C2

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.43
HSD11B1 P28845 3/20 0.41
SIGMAR1 Q99720 3/20 0.38
TSHR P16473 1/20 0.38
EPHX1 P07099 3/20 0.37
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL3375700 0.97 SIGMAR1 (0.41) EPHX2HSD11B1SIGMAR1TSHREPHX1
SCHEMBL3375837 0.95 SIGMAR1 (0.43) EPHX2HSD11B1SIGMAR1TSHREPHX1
SCHEMBL3378312 0.84 HSD11B1 (0.40) EPHX2HSD11B1SIGMAR1TSHREPHX1
SCHEMBL2638369 0.83 EPHX2 (0.41) EPHX2HSD11B1SIGMAR1TSHREPHX1
SCHEMBL15105751 0.81 HSD11B1 (0.39) EPHX2HSD11B1SIGMAR1TSHREPHX1
SCHEMBL2638324 0.81 HSD11B1 (0.40) EPHX2HSD11B1SIGMAR1TSHREPHX1
SCHEMBL3378749 0.81 HSD11B1 (0.40) EPHX2HSD11B1SIGMAR1TSHREPHX1
SCHEMBL3375706 0.80 PBK (0.41) EPHX2HSD11B1SIGMAR1TSHREPHX1
SCHEMBL3375841 0.79 EPHX1 (0.42) EPHX2HSD11B1SIGMAR1TSHREPHX1
SCHEMBL2638872 0.77 EPHX2 (0.57) EPHX2HSD11B1SIGMAR1TSHREPHX1

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 EPHX2 1901/4885HSD11B1 442/4885SIGMAR1 1452/4885
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 EPHX2 1871/4885HSD11B1 386/4885SIGMAR1 1322/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B EPHX2 1923/4885HSD11B1 318/4885SIGMAR1 1487/4885

“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.