SCHEMBL3376429

SCHEMBL3376429

CCn1ccc(C(=O)NC23CC4CC(C2)CC(C(N)=O)(C4)C3)n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.50
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
GRM5 P41594 1/20 0.43
HSD11B1 P28845 2/20 0.42
CNR2 P34972 3/20 0.42
CNR1 P21554 2/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
GAA P10253 1/20 0.40
POLB P06746 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL3376435 0.87 EPHX2 (0.52) EPHX2NPC1RAB9AGRM5CNR2
SCHEMBL2638176 0.86 GRM5 (0.56) GRM5HSD11B1CNR2CNR1SMN1; SMN2
SCHEMBL1578180 0.81 EPHX2 (0.47) EPHX2NPC1RAB9AGRM5CNR2
SCHEMBL3375695 0.76 HTT (0.47) EPHX2GRM5HSD11B1CNR2CNR1
SCHEMBL15163117 0.75 GRM5 (0.43) EPHX2NPC1RAB9AGRM5CNR2
SCHEMBL3378027 0.75 HSD11B1 (0.42) NPC1RAB9AGRM5HSD11B1CNR2
SCHEMBL2278187 0.75 GRM5 (0.51) NPC1GRM5HSD11B1CNR2
SCHEMBL3374462 0.75 MEN1 (0.43) GRM5HSD11B1MAPTPOLB
SCHEMBL1883871 0.74 GRM5 (0.63) NPC1RAB9AGRM5CNR2CNR1
SCHEMBL2638164 0.74 RAB9A (0.56) EPHX2RAB9AGRM5HSD11B1TSHR

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 EPHX2 1901/4885NPC1 991/4885RAB9A 333/4885
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 EPHX2 1871/4885NPC1 1135/4885RAB9A 356/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B EPHX2 1923/4885NPC1 876/4885RAB9A 314/4885

“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.