SCHEMBL3378027

SCHEMBL3378027

CC(=O)c1cccc(C(=O)NC23CC4CC(C2)CC(C(N)=O)(C4)C3)n1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.42
FAAH O00519 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
GRM5 P41594 2/20 0.39
CNR2 P34972 1/20 0.39
FPR2 P25090 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 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
SCHEMBL2278187 0.89 GRM5 (0.51) HSD11B1GRM5CNR2FPR2NPC1
SCHEMBL2638628 0.87 HSD11B1 (0.41) HSD11B1FAAHGRM5CNR2
SCHEMBL2638225 0.86 HSD11B1 (0.44) HSD11B1FAAHGRM5RAB9ANPC1
SCHEMBL3378031 0.86 PBK (0.48) FAAHGRM5CNR2
SCHEMBL3375775 0.86 CNR2 (0.42) HSD11B1FAAHSMN1; SMN2GRM5CNR2
SCHEMBL3382034 0.86 HSD11B1 (0.41) HSD11B1FAAHSMN1; SMN2GRM5CNR2
SCHEMBL3379656 0.85 HSD11B1 (0.42) HSD11B1FAAHSMN1; SMN2GRM5CNR2
SCHEMBL2638622 0.85 HSD11B1 (0.42) HSD11B1FAAHSMN1; SMN2GRM5CNR2
SCHEMBL3377608 0.85 HSD11B1 (0.40) HSD11B1FAAHSMN1; SMN2GRM5CNR2
SCHEMBL1578607 0.84 GRM5 (0.53) FAAHGRM5CNR2FPR2NPC1

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 10 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
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 HSD11B1 442/4885FAAH 2836/4885SMN1; SMN2 2554/4885
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 HSD11B1 386/4885FAAH 2727/4885SMN1; SMN2 2453/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B HSD11B1 318/4885FAAH 2906/4885SMN1; SMN2 2444/4885

“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.