SCHEMBL3378749

SCHEMBL3378749

NC(=O)C12CC3CC(CC(NC(=O)C4CC4(F)F)(C3)C1)C2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.40
TSHR P16473 1/20 0.37
EPHX2 P34913 2/20 0.36
EPHX1 P07099 1/20 0.36
SIGMAR1 Q99720 2/20 0.34
ALDH1A1 P00352 3/20 0.34
PKM P14618 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CRHBP P24387 1/20 0.33
HTT P42858 1/20 0.33
CRHR2 Q13324 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL3378312 0.85 HSD11B1 (0.40) HSD11B1TSHREPHX2EPHX1SIGMAR1
SCHEMBL3378752 0.82 PBK (0.41) TSHREPHX2EPHX1PKM
SCHEMBL3375700 0.81 SIGMAR1 (0.41) HSD11B1TSHREPHX2EPHX1SIGMAR1
SCHEMBL2638366 0.81 EPHX2 (0.43) HSD11B1TSHREPHX2EPHX1SIGMAR1
SCHEMBL2638324 0.79 HSD11B1 (0.40) HSD11B1TSHREPHX2EPHX1SIGMAR1
SCHEMBL3375837 0.79 SIGMAR1 (0.43) HSD11B1TSHREPHX2EPHX1SIGMAR1
SCHEMBL2638013 0.79 EPHX2 (0.57) EPHX2EPHX1ALDH1A1KMT2A
SCHEMBL15105751 0.77 HSD11B1 (0.39) HSD11B1TSHREPHX2EPHX1SIGMAR1
SCHEMBL3374599 0.75 ALDH1A1 (0.49) HSD11B1TSHREPHX2ALDH1A1PKM
SCHEMBL1074056 0.73 SMN1; SMN2 (0.50) HSD11B1TSHRALDH1A1PKMMEN1

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 HSD11B1 442/4885TSHR 1337/4885EPHX2 1901/4885
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 HSD11B1 386/4885TSHR 1348/4885EPHX2 1871/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B HSD11B1 318/4885TSHR 1530/4885EPHX2 1923/4885

“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.