SCHEMBL1883176

SCHEMBL1883176

CN(C)c1ccc(C(=O)NC23CC4CC(C2)CC(NC(=O)c2ccccn2)(C4)C3)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.48
FAAH O00519 2/20 0.47
FPR2 P25090 1/20 0.46
RAB9A P51151 4/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 2/20 0.46
NPC1 O15118 2/20 0.46
POLB P06746 2/20 0.46
PKM P14618 1/20 0.46
GFER P55789 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.46
AGTR1 P30556 1/20 0.46
OPRK1 P41145 1/20 0.46
RECQL P46063 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SNCA P37840 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
CNR2 P34972 3/20 0.43

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
SCHEMBL1578303 0.88 FAAH (0.62) GRM5FAAHFPR2RAB9AMAPT
SCHEMBL1578149 0.86 GRM5 (0.58) GRM5FAAHFPR2RAB9AMAPT
SCHEMBL1578707 0.85 CNR2 (0.63) GRM5FAAHRAB9AMAPTNPC1
SCHEMBL15163462 0.85 FAAH (0.43) GRM5FAAHRAB9ANPC1POLB
SCHEMBL1578533 0.83 FAAH (0.49) GRM5FAAHFPR2RAB9AMAPT
SCHEMBL1579128 0.82 GRM5 (0.54) GRM5FAAHFPR2RAB9AMAPT
SCHEMBL1578468 0.80 GRM5 (0.56) GRM5FAAHFPR2RAB9AMAPT
SCHEMBL9915258 0.80 GRM5 (0.56) GRM5FAAHFPR2RAB9AMAPT
SCHEMBL1578460 0.79 GRM5 (0.54) GRM5FAAHFPR2RAB9AMAPT
SCHEMBL2271257 0.79 GRM5 (0.50) GRM5FAAHFPR2RAB9AMAPT

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 19 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
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 GRM5 3873/4885FAAH 2836/4885FPR2 3365/4885
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 GRM5 3895/4885FAAH 2727/4885FPR2 3380/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B GRM5 4054/4885FAAH 2906/4885FPR2 3206/4885
US-20110178086-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 GRM5 3873/4885FAAH 2836/4885FPR2 3365/4885

“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.