SCHEMBL2637604

SCHEMBL2637604

NC(=O)C12CC3CC(CC(NC(=O)c4ccno4)(C3)C1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD11B1 P28845 2/20 0.41
PBK Q96KB5 1/20 0.39
PAX8 Q06710 1/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 3/20 0.38
LMNA P02545 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 1/20 0.38
CHRNA4 P43681 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
FAAH O00519 2/20 0.37
HPGD P15428 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37

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
SCHEMBL2637605 0.85 PBK (0.53) MEN1KMT2APBKPAX8POLB
SCHEMBL3373996 0.79 EPHX2 (0.47) MEN1KMT2AHSD11B1POLBNPC1
SCHEMBL3373935 0.79 KMT2A (0.53) MEN1KMT2APOLBLMNASMN1; SMN2
SCHEMBL1578258 0.78 RAB9A (0.50) MEN1KMT2ANPC1LMNARAB9A
SCHEMBL2638614 0.77 POLB (0.53) HSD11B1POLBNPC1LMNARAB9A
SCHEMBL2638164 0.76 RAB9A (0.56) MEN1KMT2AHSD11B1RAB9AGAA
SCHEMBL2638913 0.76 FAAH (0.67) MEN1KMT2AHSD11B1POLBHTT
SCHEMBL2638285 0.76 PABPC1 (0.44) HSD11B1PBKNPC1RAB9AFAAH
SCHEMBL2638469 0.76 CNR2 (0.42) KMT2AHSD11B1PBKPOLBTSHR
SCHEMBL3374560 0.76 HSD11B1 (0.48) HSD11B1PBKNPC1RAB9ATSHR

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 MEN1 78/4885KMT2A 3173/4885HSD11B1 442/4885
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 MEN1 79/4885KMT2A 2991/4885HSD11B1 386/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B MEN1 67/4885KMT2A 3089/4885HSD11B1 318/4885

“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.