SCHEMBL3377592

SCHEMBL3377592

NC12CC3CC(C1)CC(NC(=O)c1cc(C4CC4)on1)(C3)C2

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PBK Q96KB5 2/20 0.51
FAAH O00519 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMYD3 Q9H7B4 14/20 0.45
TSHR P16473 1/20 0.44
STAT3 P40763 1/20 0.43
STAT1 P42224 1/20 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
SCHEMBL3377589 0.86 SMYD3 (0.46) FAAHNPC1RAB9ASMYD3TSHR
SCHEMBL2638166 0.83 EPHX2 (0.51) PBKFAAH
SCHEMBL1578557 0.80 GRM5 (0.48) FAAHNPC1RAB9ATSHRSTAT3
SCHEMBL3378051 0.75 PBK (0.56) PBKFAAHTSHR
SCHEMBL3373999 0.75 EPHX2 (0.49) PBKFAAH
SCHEMBL2638189 0.75 PBK (0.50) PBKFAAHTSHR
SCHEMBL9914297 0.75 PBK (0.55) PBKFAAHRAB9ATSHR
SCHEMBL1578147 0.75 PBK (0.55) PBKFAAHRAB9ATSHR
SCHEMBL1578531 0.75 PABPC1 (0.74) PBKTSHR
SCHEMBL15163010 0.75 RAB9A (0.42) FAAHNPC1RAB9ASMYD3TSHR

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 4394/4885FAAH 2836/4885NPC1 991/4885
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 PBK 4419/4885FAAH 2727/4885NPC1 1135/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B PBK 4400/4885FAAH 2906/4885NPC1 876/4885

“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.