SCHEMBL3379817

SCHEMBL3379817

CN(C)CCOc1ccc(C(=O)NC23CC4CC(C2)CC(C(N)=O)(C4)C3)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.48
ESR1 P03372 2/20 0.47
FAAH O00519 2/20 0.47
POLB P06746 2/20 0.43
HSD11B1 P28845 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
PKM P14618 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SPHK1 Q9NYA1 2/20 0.40
OPRK1 P41145 1/20 0.40
MDH1 P40925 1/20 0.39
MDH2 P40926 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 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
SCHEMBL3379819 0.88 CNR2 (0.50) CNR2ESR1FAAHPOLBPKM
SCHEMBL2638431 0.83 CNR2 (0.70) CNR2FAAHPOLBHSD11B1NPSR1
SCHEMBL1578533 0.81 FAAH (0.49) CNR2ESR1FAAHPOLBPKM
SCHEMBL3378212 0.81 POLB (0.50) CNR2FAAHPOLBHSD11B1PKM
SCHEMBL15162772 0.78 FAAH (0.46) CNR2ESR1FAAHPOLBHSD11B1
SCHEMBL2638614 0.77 POLB (0.53) CNR2FAAHPOLBHSD11B1PKM
SCHEMBL2638913 0.77 FAAH (0.67) CNR2FAAHPOLBHSD11B1NPSR1
SCHEMBL2638075 0.76 FAAH (0.55) CNR2FAAHPOLBHSD11B1PKM
SCHEMBL1578597 0.76 CNR2 (0.61) CNR2FAAHPOLBPKMMDH1
SCHEMBL3375698 0.75 FAAH (0.56) CNR2FAAHPOLBPKMKMT2A

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 CNR2 1628/4885ESR1 4166/4885FAAH 2836/4885
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 CNR2 1603/4885ESR1 4281/4885FAAH 2727/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B CNR2 1681/4885ESR1 4122/4885FAAH 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.