SCHEMBL3376407

SCHEMBL3376407

COc1cc(C(=O)NC23CC4CC(C2)CC(C(N)=O)(C4)C3)ccn1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.50
PKM P14618 1/20 0.50
FAAH O00519 4/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
PBK Q96KB5 1/20 0.40
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
HSD11B1 P28845 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
SCHEMBL3376865 0.90 CNR2 (0.43) CNR2PKMFAAHKMT2AMEN1
SCHEMBL3376411 0.87 PBK (0.53) CNR2PKMFAAHKMT2AMEN1
SCHEMBL2638349 0.86 CNR2 (0.45) CNR2PKMFAAHKMT2AMEN1
SCHEMBL2638557 0.86 CNR2 (0.42) CNR2PKMFAAHKMT2AMEN1
SCHEMBL2638469 0.84 CNR2 (0.42) CNR2PKMFAAHKMT2APBK
SCHEMBL2638457 0.81 CNR2 (0.47) CNR2PKMFAAHKMT2AMEN1
SCHEMBL3373935 0.81 KMT2A (0.53) CNR2FAAHKMT2AMEN1POLB
SCHEMBL2638886 0.81 FAAH (0.73) CNR2PKMFAAHKMT2AMEN1
SCHEMBL2638431 0.80 CNR2 (0.70) CNR2PKMFAAHKMT2AMEN1
SCHEMBL3377755 0.79 CNR2 (0.61) CNR2PKMFAAHKMT2AMEN1

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
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-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 CNR2 1628/4885PKM 3876/4885FAAH 2836/4885
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 CNR2 1603/4885PKM 4088/4885FAAH 2727/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B CNR2 1681/4885PKM 3889/4885FAAH 2906/4885

“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.