SCHEMBL3373935

SCHEMBL3373935

NC(=O)C12CC3CC(CC(NC(=O)c4ccncc4)(C3)C1)C2

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.50
ALDH1A1 P00352 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 1/20 0.49
FAAH O00519 1/20 0.49
CNR2 P34972 2/20 0.48
KDM4E B2RXH2 3/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
EPHX2 P34913 2/20 0.45
FPR2 P25090 1/20 0.43
GRM5 P41594 1/20 0.43
HSD17B10 Q99714 1/20 0.42
EPHX1 P07099 1/20 0.42

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
SCHEMBL1578475 0.88 FAAH (0.58) KMT2AMEN1POLBALDH1A1L3MBTL1
SCHEMBL2638913 0.87 FAAH (0.67) KMT2AMEN1POLBALDH1A1TSHR
SCHEMBL3377026 0.85 TSHR (0.71) KMT2AMEN1POLBTSHRFAAH
SCHEMBL2638614 0.85 POLB (0.53) POLBALDH1A1L3MBTL1FAAHCNR2
SCHEMBL3373940 0.84 PBK (0.56) KMT2AMEN1POLBTSHRFAAH
SCHEMBL2638349 0.83 CNR2 (0.45) KMT2AMEN1POLBALDH1A1TSHR
SCHEMBL2638469 0.83 CNR2 (0.42) KMT2APOLBTSHRFAAHCNR2
SCHEMBL2638557 0.83 CNR2 (0.42) KMT2AMEN1POLBL3MBTL1TSHR
SCHEMBL2638142 0.83 EPHX2 (0.46) TSHREPHX2GRM5
SCHEMBL16872821 0.82 FAAH (0.71) KMT2AMEN1POLBALDH1A1L3MBTL1

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 KMT2A 3173/4885MEN1 78/4885POLB 4605/4885
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 KMT2A 2991/4885MEN1 79/4885POLB 4648/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B KMT2A 3089/4885MEN1 67/4885POLB 4668/4885

“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.