SCHEMBL3377608

SCHEMBL3377608

CC(O)c1cccc(C(=O)NC23CC4CC(C2)CC(C(N)=O)(C4)C3)n1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
GRM5 P41594 2/20 0.37
CNR2 P34972 4/20 0.37
CNR1 P21554 1/20 0.36
FPR2 P25090 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FAAH O00519 3/20 0.36

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
SCHEMBL2638625 0.89 HSD11B1 (0.40) HSD11B1SMN1; SMN2GRM5CNR2CNR1
SCHEMBL3377613 0.87 PBK (0.48) GRM5CNR2CNR1KDM4EALDH1A1
SCHEMBL1581106 0.85 GRM5 (0.49) GRM5CNR2CNR1FPR2
SCHEMBL2278187 0.85 GRM5 (0.51) HSD11B1GRM5CNR2FPR2
SCHEMBL3378027 0.85 HSD11B1 (0.42) HSD11B1SMN1; SMN2GRM5CNR2FPR2
SCHEMBL2638628 0.84 HSD11B1 (0.41) HSD11B1GRM5CNR2TSHRFAAH
SCHEMBL2638225 0.83 HSD11B1 (0.44) HSD11B1GRM5FAAH
SCHEMBL3375775 0.82 CNR2 (0.42) HSD11B1SMN1; SMN2GRM5CNR2FAAH
SCHEMBL3379656 0.82 HSD11B1 (0.42) HSD11B1SMN1; SMN2GRM5CNR2FAAH
SCHEMBL2638622 0.81 HSD11B1 (0.42) HSD11B1SMN1; SMN2GRM5CNR2CNR1

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 HSD11B1 442/4885SMN1; SMN2 2554/4885GRM5 3873/4885
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 HSD11B1 386/4885SMN1; SMN2 2453/4885GRM5 3895/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B HSD11B1 318/4885SMN1; SMN2 2444/4885GRM5 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.