SCHEMBL3374565

SCHEMBL3374565

NC12CC3CC(C1)CC(NC(=O)c1ncccc1F)(C3)C2

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PBK Q96KB5 5/20 0.53
TSHR P16473 1/20 0.45
GRM5 P41594 2/20 0.45
CNR2 P34972 5/20 0.43
DPP8 Q6V1X1 3/20 0.42
DPP9 Q86TI2 3/20 0.42
CNR1 P21554 2/20 0.40
EPHX2 P34913 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
SCHEMBL3374560 0.86 HSD11B1 (0.48) PBKTSHRGRM5CNR2CNR1
SCHEMBL2638401 0.86 PBK (0.53) PBKTSHRGRM5CNR2DPP8
SCHEMBL1578858 0.80 GRM5 (0.53) GRM5CNR2CNR1
SCHEMBL9914297 0.80 PBK (0.55) PBKTSHRGRM5DPP8DPP9
SCHEMBL1578147 0.80 PBK (0.55) PBKTSHRGRM5DPP8DPP9
SCHEMBL11028519 0.78 GRM5 (0.60) GRM5
SCHEMBL11028013 0.78 GRM5 (0.60) GRM5
SCHEMBL11032444 0.78 GRM5 (0.60) GRM5
SCHEMBL3377031 0.77 TSHR (0.76) PBKTSHRGRM5EPHX2
SCHEMBL2638286 0.77 PBK (0.55) PBKTSHRGRM5DPP8DPP9

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 4394/4885TSHR 1337/4885GRM5 3873/4885
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 PBK 4419/4885TSHR 1348/4885GRM5 3895/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B PBK 4400/4885TSHR 1530/4885GRM5 4054/4885

“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.