SCHEMBL3373940

SCHEMBL3373940

NC12CC3CC(C1)CC(NC(=O)c1ccncc1)(C3)C2

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PBK Q96KB5 5/20 0.56
TSHR P16473 1/20 0.54
POLB P06746 1/20 0.52
FAAH O00519 1/20 0.51
CNR2 P34972 2/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 1/20 0.47
EPHX2 P34913 1/20 0.47
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
Hydrochloric Acid SCHEMBL30685002 0.91 PBK (0.51) PBKTSHRPOLBFAAHCNR2
SCHEMBL1578475 0.90 FAAH (0.58) TSHRPOLBFAAHCNR2MEN1
SCHEMBL2639172 0.86 FAAH (0.70) PBKTSHRPOLBFAAHCNR2
SCHEMBL3377031 0.86 TSHR (0.76) PBKTSHRPOLBFAAHMEN1
Hydrochloric Acid SCHEMBL30685265 0.85 TSHR (0.74) PBKTSHRPOLBFAAHMEN1
SCHEMBL3373935 0.84 KMT2A (0.53) TSHRPOLBFAAHCNR2MEN1
SCHEMBL16872821 0.84 FAAH (0.71) TSHRPOLBFAAHCNR2MEN1
SCHEMBL2638618 0.84 POLB (0.56) PBKTSHRPOLBFAAHCNR2
SCHEMBL1578657 0.83 PBK (0.55) PBKTSHRPOLBEPHX2
SCHEMBL2638471 0.83 PBK (0.55) PBKTSHRPOLBFAAHCNR2

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 PBK 4394/4885TSHR 1337/4885POLB 4605/4885
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 PBK 4419/4885TSHR 1348/4885POLB 4648/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B PBK 4400/4885TSHR 1530/4885POLB 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.