SCHEMBL3375841

SCHEMBL3375841

NC12CC3CC(C1)CC(NC(=O)C1CCCCC1)(C3)C2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.42
EPHX2 P34913 4/20 0.42
SIGMAR1 Q99720 2/20 0.41
HSD11B1 P28845 2/20 0.41
PBK Q96KB5 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
TSHR P16473 2/20 0.39
PKM P14618 1/20 0.39
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 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
SCHEMBL3375706 0.98 PBK (0.41) EPHX1EPHX2SIGMAR1HSD11B1PBK
SCHEMBL2638369 0.95 EPHX2 (0.41) EPHX1EPHX2SIGMAR1HSD11B1PBK
SCHEMBL3375837 0.84 SIGMAR1 (0.43) EPHX1EPHX2SIGMAR1HSD11B1MEN1
SCHEMBL2638571 0.82 EPHX2 (0.59) EPHX1EPHX2SIGMAR1HSD11B1MEN1
SCHEMBL3375700 0.82 SIGMAR1 (0.41) EPHX1EPHX2SIGMAR1HSD11B1TSHR
SCHEMBL3378317 0.82 PBK (0.40) EPHX1EPHX2PBKPOLBDPP8
SCHEMBL15105752 0.81 TSHR (0.40) EPHX1EPHX2PBKMEN1KMT2A
SCHEMBL2638872 0.80 EPHX2 (0.57) EPHX1EPHX2SIGMAR1HSD11B1MEN1
SCHEMBL2638326 0.80 TSHR (0.42) EPHX1EPHX2PBKMEN1KMT2A
SCHEMBL2638366 0.79 EPHX2 (0.43) EPHX1EPHX2SIGMAR1HSD11B1TSHR

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 EPHX1 2304/4885EPHX2 1901/4885SIGMAR1 1452/4885
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 EPHX1 2219/4885EPHX2 1871/4885SIGMAR1 1322/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B EPHX1 2182/4885EPHX2 1923/4885SIGMAR1 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.