SCHEMBL3377356

SCHEMBL3377356

NC(=O)C12CC3CC(CC(NC(=O)c4cc(Br)ccn4)(C3)C1)C2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.44
PBK Q96KB5 2/20 0.41
GRM5 P41594 2/20 0.41
ANO1 Q5XXA6 2/20 0.40
HSD11B1 P28845 2/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FAAH O00519 1/20 0.38
RAF1 P04049 1/20 0.38
EPHX2 P34913 1/20 0.38
MAPT P10636 1/20 0.37
AGTR1 P30556 1/20 0.37
OPRK1 P41145 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37
CNR2 P34972 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL3378048 0.88 PABPC1 (0.45) PABPC1PBKGRM5ANO1HSD11B1
SCHEMBL2638285 0.87 PABPC1 (0.44) PABPC1PBKGRM5ANO1HSD11B1
SCHEMBL3377358 0.86 PBK (0.55) PABPC1PBKGRM5ANO1KDM4E
SCHEMBL2638457 0.84 CNR2 (0.47) PABPC1PBKGRM5ANO1FAAH
SCHEMBL2638164 0.83 RAB9A (0.56) PABPC1GRM5HSD11B1KDM4EALDH1A1
SCHEMBL2638557 0.82 CNR2 (0.42) PBKHSD11B1KDM4EFAAHCNR2
SCHEMBL2638132 0.81 RAF1 (0.42) PABPC1PBKGRM5ANO1HSD11B1
SCHEMBL2637964 0.81 PABPC1 (0.70) PABPC1PBKGRM5KDM4EALDH1A1
SCHEMBL2638230 0.80 GRM5 (0.45) PABPC1PBKGRM5HSD11B1MEN1
SCHEMBL2639229 0.80 RAF1 (0.43) PABPC1PBKGRM5ANO1HSD11B1

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 PABPC1 3961/4885PBK 4394/4885GRM5 3873/4885
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 PABPC1 4007/4885PBK 4419/4885GRM5 3895/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B PABPC1 3818/4885PBK 4400/4885GRM5 4054/4885

“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.