SCHEMBL9914296

SCHEMBL9914296

N[C@]12CC3CC(C[C@](N)(C3)C1)C2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 8/20 0.65
GRIN2A Q12879 8/20 0.65
GRIN2D O15399 7/20 0.65
GRIN3B O60391 7/20 0.65
GRIN2B Q13224 7/20 0.65
GRIN2C Q14957 7/20 0.65
GRIN3A Q8TCU5 7/20 0.65
LMNA P02545 4/20 0.65
SLC22A1 O15245 2/20 0.65
NFKB1 P19838 2/20 0.65
SLC22A2 O15244 1/20 0.65
TSHR P16473 1/20 0.65
STAT6 P42226 1/20 0.65
SLC47A1 Q96FL8 1/20 0.65
SIGMAR1 Q99720 1/20 0.65
PKM P14618 1/20 0.64
POLB P06746 2/20 0.61
THRB P10828 2/20 0.61
PMP22 Q01453 2/20 0.61
BLM P54132 1/20 0.61

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
SCHEMBL12132159 1.00 GRIN1 (0.65) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL510762 1.00 GRIN1 (0.65) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL8720366 1.00 GRIN1 (0.65) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL12130587 1.00 GRIN1 (0.65) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
Water SCHEMBL28015899 0.97 GRIN1 (0.61) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
Hydrochloric Acid SCHEMBL1880961 0.97 LMNA (0.67) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
Hydrochloric Acid SCHEMBL866896 0.97 LMNA (0.67) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL1362423 0.85 PKM (0.56) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
Amantadine SCHEMBL4846924 0.84 GRIN1 (0.81) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL18543598 0.81 PKM (0.95) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716284-B2 Adamantyl diamide derivatives and uses of same H. LUNDBECK A/S (DK) 2014-05-06 US disclosed
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-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-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-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-8198275-B2 Adamantyl diamide derivatives and uses of same H. LUNDBECK A/S (DK) 2012-06-12 US disclosed
US-20110178086-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2011-07-21 US disclosed
US-20110178086-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2011-07-21 US disclosed
US-7947680-B2 Adamantyl diamide derivatives and uses of same H. LUNDBECK A/S 2011-05-24 US disclosed
US-7947680-B2 Adamantyl diamide derivatives and uses of same H. LUNDBECK A/S 2011-05-24 US disclosed
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2010-01-28 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 (4 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 GRIN1 2343/4885GRIN2A 3212/4885GRIN2D 2694/4885
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 GRIN1 1920/4885GRIN2A 2857/4885GRIN2D 2498/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B GRIN1 2293/4885GRIN2A 3403/4885GRIN2D 2815/4885
US-20110178086-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 GRIN1 2343/4885GRIN2A 3212/4885GRIN2D 2694/4885

“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.