SCHEMBL3376435

SCHEMBL3376435

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.52
PBK Q96KB5 3/20 0.46
GRM5 P41594 1/20 0.44
CNR2 P34972 3/20 0.43
CNR1 P21554 2/20 0.43
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TSHR P16473 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 1/20 0.42
GAA P10253 1/20 0.41
POLB P06746 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 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
SCHEMBL3376429 0.87 EPHX2 (0.50) EPHX2GRM5CNR2CNR1NPC1
SCHEMBL2641143 0.85 GRM5 (0.58) PBKGRM5CNR2CNR1DPP8
SCHEMBL1578180 0.82 EPHX2 (0.47) EPHX2GRM5CNR2CNR1NPC1
SCHEMBL15163117 0.77 GRM5 (0.43) EPHX2GRM5CNR2CNR1NPC1
SCHEMBL1883871 0.76 GRM5 (0.63) GRM5CNR2CNR1NPC1RAB9A
SCHEMBL3375697 0.75 HTT (0.48) EPHX2PBKGRM5CNR2CNR1
SCHEMBL3374466 0.74 PBK (0.51) PBKGRM5RAB9ASMN1; SMN2TSHR
SCHEMBL1578461 0.74 GRM5 (0.50) PBKGRM5CNR2NPC1DPP8
SCHEMBL3378031 0.74 PBK (0.48) PBKGRM5CNR2TSHRDPP8
SCHEMBL9914297 0.73 PBK (0.55) EPHX2PBKGRM5RAB9ATSHR

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 1901/4885PBK 4394/4885GRM5 3873/4885
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 EPHX2 1871/4885PBK 4419/4885GRM5 3895/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B EPHX2 1923/4885PBK 4400/4885GRM5 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.