SCHEMBL3374599

SCHEMBL3374599

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
JAK2 O60674 1/20 0.49
LMNA P02545 1/20 0.49
RAB9A P51151 1/20 0.49
HSD11B1 P28845 2/20 0.47
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.41
RXFP1 Q9HBX9 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL5805076 0.86 ALDH1A1 (0.50) ALDH1A1JAK2LMNARAB9AMEN1
SCHEMBL3374604 0.81 JAK2 (0.51) ALDH1A1JAK2LMNARAB9ATSHR
SCHEMBL12846029 0.80 ALDH1A1 (0.53) ALDH1A1JAK2LMNARAB9ATSHR
SCHEMBL1718112 0.78 ALDH1A1 (0.73) ALDH1A1JAK2LMNARAB9AMEN1
SCHEMBL3375700 0.76 SIGMAR1 (0.41) HSD11B1TSHREPHX2
SCHEMBL2638366 0.76 EPHX2 (0.43) LMNAHSD11B1TSHREPHX2
SCHEMBL2638324 0.75 HSD11B1 (0.40) ALDH1A1HSD11B1MEN1KMT2ATSHR
SCHEMBL3378312 0.75 HSD11B1 (0.40) ALDH1A1LMNAHSD11B1MEN1MAPT
SCHEMBL3378749 0.75 HSD11B1 (0.40) ALDH1A1HSD11B1MEN1MAPTKMT2A
SCHEMBL3375837 0.75 SIGMAR1 (0.43) HSD11B1MEN1KMT2ATSHRHDAC8

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2010011570-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2010-01-28 WO 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 ALDH1A1 123/4885JAK2 911/4885LMNA 4417/4885
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 ALDH1A1 121/4885JAK2 813/4885LMNA 4385/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B ALDH1A1 105/4885JAK2 871/4885LMNA 4496/4885

“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.