SCHEMBL3374466

SCHEMBL3374466

Cc1ccc(C(=O)NC23CC4CC(CC(N)(C4)C2)C3)nc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PBK Q96KB5 5/20 0.51
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PABPC1 P11940 1/20 0.44
GRM5 P41594 3/20 0.43
TSHR P16473 1/20 0.41
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 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
SCHEMBL3374462 0.86 MEN1 (0.43) MEN1KMT2APABPC1GRM5USP2
SCHEMBL2638334 0.86 PBK (0.51) PBKPABPC1GRM5TSHRDPP8
SCHEMBL1578690 0.83 GRM5 (0.55) PABPC1GRM5SMN1; SMN2RAB9A
SCHEMBL1578461 0.81 GRM5 (0.50) PBKGRM5DPP8DPP9
SCHEMBL9914297 0.81 PBK (0.55) PBKMEN1KMT2APABPC1GRM5
SCHEMBL1578657 0.81 PBK (0.55) PBKPABPC1GRM5TSHRDPP8
SCHEMBL1578147 0.81 PBK (0.55) PBKMEN1KMT2APABPC1GRM5
SCHEMBL1578617 0.80 PBK (0.58) PBKMEN1KMT2APABPC1GRM5
SCHEMBL1578467 0.79 GRM5 (0.59) PBKMEN1KMT2APABPC1GRM5
SCHEMBL1578531 0.78 PABPC1 (0.74) PBKPABPC1GRM5TSHRSMN1; SMN2

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 8 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-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 PBK 4394/4885MEN1 78/4885KMT2A 3173/4885
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 PBK 4419/4885MEN1 79/4885KMT2A 2991/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B PBK 4400/4885MEN1 67/4885KMT2A 3089/4885

“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.