SCHEMBL3376868

SCHEMBL3376868

CCOc1cc(C(=O)NC23CC4CC(CC(N)(C4)C2)C3)ccn1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PBK Q96KB5 3/20 0.51
CNR2 P34972 4/20 0.42
PKM P14618 1/20 0.42
FAAH O00519 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.41
DPP8 Q6V1X1 3/20 0.41
DPP9 Q86TI2 3/20 0.41
POLB P06746 1/20 0.39
PROKR1 Q8TCW9 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL3376411 0.89 PBK (0.53) PBKCNR2PKMFAAHKMT2A
SCHEMBL3376865 0.88 CNR2 (0.43) PBKCNR2PKMFAAHKMT2A
SCHEMBL2638352 0.84 PBK (0.55) PBKCNR2PKMFAAHKMT2A
SCHEMBL3375702 0.82 FAAH (0.58) PBKCNR2FAAHKMT2AMEN1
SCHEMBL2638471 0.81 PBK (0.55) PBKCNR2FAAHKMT2ATSHR
SCHEMBL2638560 0.81 PBK (0.55) PBKCNR2PKMFAAHKMT2A
SCHEMBL1578334 0.81 GRM5 (0.52) CNR2PKMFAAHKMT2AMEN1
SCHEMBL15163011 0.79 GRM5 (0.44) CNR2PKMFAAHKMT2AMEN1
SCHEMBL3373940 0.78 PBK (0.56) PBKCNR2FAAHKMT2AMEN1
SCHEMBL3376407 0.77 CNR2 (0.50) PBKCNR2PKMFAAHKMT2A

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 PBK 4394/4885CNR2 1628/4885PKM 3876/4885
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 PBK 4419/4885CNR2 1603/4885PKM 4088/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B PBK 4400/4885CNR2 1681/4885PKM 3889/4885

“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.