SCHEMBL3375700

SCHEMBL3375700

NC(=O)C12CC3CC(CC(NC(=O)C4CCCC4)(C3)C1)C2

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.41
HSD11B1 P28845 4/20 0.41
EPHX2 P34913 5/20 0.40
EPHX1 P07099 4/20 0.39
TSHR P16473 2/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.36

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
SCHEMBL3375837 0.98 SIGMAR1 (0.43) SIGMAR1HSD11B1EPHX2EPHX1TSHR
SCHEMBL2638366 0.97 EPHX2 (0.43) SIGMAR1HSD11B1EPHX2EPHX1TSHR
SCHEMBL3378312 0.84 HSD11B1 (0.40) SIGMAR1HSD11B1EPHX2EPHX1TSHR
SCHEMBL3375706 0.83 PBK (0.41) SIGMAR1HSD11B1EPHX2EPHX1TSHR
SCHEMBL3375841 0.82 EPHX1 (0.42) SIGMAR1HSD11B1EPHX2EPHX1TSHR
SCHEMBL15105751 0.81 HSD11B1 (0.39) SIGMAR1HSD11B1EPHX2EPHX1TSHR
SCHEMBL3378749 0.81 HSD11B1 (0.40) SIGMAR1HSD11B1EPHX2EPHX1TSHR
SCHEMBL2638324 0.81 HSD11B1 (0.40) SIGMAR1HSD11B1EPHX2EPHX1TSHR
SCHEMBL2638872 0.80 EPHX2 (0.57) SIGMAR1HSD11B1EPHX2EPHX1TSHR
SCHEMBL2638369 0.80 EPHX2 (0.41) SIGMAR1HSD11B1EPHX2EPHX1TSHR

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 6 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
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2013-07-18 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 (2 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-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 SIGMAR1 1322/4885HSD11B1 386/4885EPHX2 1871/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B SIGMAR1 1487/4885HSD11B1 318/4885EPHX2 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.