SCHEMBL3379819

SCHEMBL3379819

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.50
ESR1 P03372 2/20 0.49
FAAH O00519 2/20 0.49
POLB P06746 2/20 0.44
PBK Q96KB5 2/20 0.44
HDAC6 Q9UBN7 1/20 0.41
OPRK1 P41145 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MDH1 P40925 1/20 0.41
MDH2 P40926 1/20 0.41
KMT2A Q03164 1/20 0.40
PKM P14618 1/20 0.40
CASP2 P42575 1/20 0.40

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
SCHEMBL3379817 0.88 CNR2 (0.48) CNR2ESR1FAAHPOLBHDAC6
SCHEMBL1578533 0.82 FAAH (0.49) CNR2ESR1FAAHPOLBOPRK1
SCHEMBL2638435 0.82 CNR2 (0.74) CNR2FAAHPOLBPBKKMT2A
SCHEMBL3378216 0.80 POLB (0.52) CNR2FAAHPOLBPBKHDAC6
SCHEMBL15162772 0.80 FAAH (0.46) CNR2ESR1FAAHPOLBBCHE
SCHEMBL1578597 0.77 CNR2 (0.61) CNR2FAAHPOLBMDH1MDH2
SCHEMBL2638618 0.76 POLB (0.56) CNR2FAAHPOLBPBKPKM
SCHEMBL2639172 0.76 FAAH (0.70) CNR2FAAHPOLBPBKKDM4E
SCHEMBL2638077 0.75 FAAH (0.57) CNR2FAAHPBKKMT2APKM
SCHEMBL3375702 0.74 FAAH (0.58) CNR2FAAHPOLBPBKKMT2A

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.