SCHEMBL2638568

SCHEMBL2638568

NC(=O)C12CC3CC(CC(NC(=O)c4cc(F)ccc4F)(C3)C1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
SCN9A Q15858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CNR2 P34972 4/20 0.39
FAAH O00519 1/20 0.39
CNR1 P21554 2/20 0.39
STS P08842 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
SCHEMBL2638617 0.90 HSD11B1 (0.44) HSD11B1NPC1RAB9ASCN9AALDH1A1
SCHEMBL2638633 0.87 HSD11B1 (0.42) HSD11B1CNR2CNR1
SCHEMBL2638572 0.86 PBK (0.52) DPP8DPP9SCN9AKDM4EALDH1A1
SCHEMBL2638614 0.83 POLB (0.53) HSD11B1NPC1RAB9AALDH1A1CNR2
SCHEMBL2638487 0.81 GRM5 (0.53) HSD11B1ATMCNR2FAAHSTS
SCHEMBL11029378 0.80 GRM5 (0.38) HSD11B1
SCHEMBL2638023 0.80 CNR2 (0.47) HSD11B1ATMCNR2FAAHCNR1
SCHEMBL2638038 0.80 STS (0.49) HSD11B1ATMCNR2FAAHSTS
SCHEMBL2638285 0.80 PABPC1 (0.44) HSD11B1NPC1RAB9ADPP8DPP9
SCHEMBL2638410 0.78 HSD11B1 (0.46) HSD11B1FAAHSTS

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 10 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
JP-2011529057-A 2011-12-01 JP claimed
WO-2010011570-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2010-01-28 WO 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
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 HSD11B1 442/4885NPC1 991/4885RAB9A 333/4885
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 HSD11B1 386/4885NPC1 1135/4885RAB9A 356/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B HSD11B1 318/4885NPC1 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.