SCHEMBL1578828

SCHEMBL1578828

COc1cccc(C(=O)NC23CC4CC(C2)CC(NC(=O)c2ccccn2)(C4)C3)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.67
CNR2 P34972 4/20 0.67
KMT2A Q03164 3/20 0.67
MEN1 O00255 2/20 0.67
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.53
MITF O75030 1/20 0.53
AGTR1 P30556 1/20 0.53
OPRK1 P41145 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
GRM4 Q14833 1/20 0.52
ATM Q13315 1/20 0.52
KDM4E B2RXH2 1/20 0.49
PKM P14618 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
CDK5 Q00535 2/20 0.47
CDK5R1 Q15078 2/20 0.47
GRM5 P41594 2/20 0.46

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
SCHEMBL1578707 0.89 CNR2 (0.63) FAAHCNR2KMT2AMEN1SMN1; SMN2
SCHEMBL1578586 0.88 CNR2 (0.85) FAAHCNR2KMT2AMEN1SMN1; SMN2
SCHEMBL15162649 0.87 FAAH (0.62) FAAHCNR2KMT2AMEN1SMN1; SMN2
SCHEMBL1578558 0.86 FAAH (0.67) FAAHCNR2KMT2AMEN1SMN1; SMN2
SCHEMBL9915258 0.85 GRM5 (0.56) FAAHCNR2KMT2AMEN1AGTR1
SCHEMBL1578468 0.85 GRM5 (0.56) FAAHCNR2KMT2AMEN1AGTR1
SCHEMBL1578303 0.85 FAAH (0.62) FAAHCNR2KMT2AMEN1AGTR1
SCHEMBL1578805 0.85 GRM5 (0.52) FAAHCNR2KMT2AMEN1AGTR1
SCHEMBL9915236 0.85 FAAH (0.48) FAAHCNR2KMT2AMEN1AGTR1
SCHEMBL1578672 0.84 GRM5 (0.59) FAAHCNR2KMT2AMEN1AGTR1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947680-B2 Adamantyl diamide derivatives and uses of same H. LUNDBECK A/S 2011-05-24 US claimed
EP-2310356-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. Lundbeck A/S (DK) 2011-04-20 EP claimed
US-8716284-B2 Adamantyl diamide derivatives and uses of same H. LUNDBECK A/S (DK) 2014-05-06 US disclosed
US-8716284-B2 Adamantyl diamide derivatives and uses of same H. LUNDBECK A/S (DK) 2014-05-06 US disclosed
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2013-07-18 US 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-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-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-8198275-B2 Adamantyl diamide derivatives and uses of same H. LUNDBECK A/S (DK) 2012-06-12 US disclosed
US-20110178086-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2011-07-21 US disclosed
US-20110178086-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2011-07-21 US disclosed
US-20110178086-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2011-07-21 US disclosed
US-7947680-B2 Adamantyl diamide derivatives and uses of same H. LUNDBECK A/S 2011-05-24 US disclosed
US-7947680-B2 Adamantyl diamide derivatives and uses of same H. LUNDBECK A/S 2011-05-24 US disclosed
US-7947680-B2 Adamantyl diamide derivatives and uses of same H. LUNDBECK A/S 2011-05-24 US disclosed
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2010-01-28 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 (4 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 FAAH 2836/4885CNR2 1628/4885KMT2A 3173/4885
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 FAAH 2727/4885CNR2 1603/4885KMT2A 2991/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B FAAH 2906/4885CNR2 1681/4885KMT2A 3089/4885
US-20110178086-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 FAAH 2836/4885CNR2 1628/4885KMT2A 3173/4885

“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.