SCHEMBL2089548

SCHEMBL2089548

O=C(C=C1C2CC3CC1CN(C3)C2)Nc1ccc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
RAB9A P51151 7/20 0.42
NPC1 O15118 6/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 8/20 0.41
KMT2A Q03164 8/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
CYP1A2 P05177 3/20 0.40
RECQL P46063 1/20 0.40
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
EPHX1 P07099 1/20 0.39
LMNA P02545 1/20 0.38
HTR1E P28566 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL2091046 0.99 KDM4E (0.44) KDM4ERAB9ANPC1MAPTMEN1
SCHEMBL2091993 0.85 GRIN2B (0.44) RAB9ANPC1L3MBTL1SMN1; SMN2CYP1A2
SCHEMBL2092068 0.85 NPC1 (0.51) KDM4ERAB9ANPC1MAPTMEN1
SCHEMBL2089305 0.84 NPC1 (0.50) KDM4ERAB9ANPC1MAPTMEN1
SCHEMBL2094169 0.84 GRIN2B (0.43) RAB9ANPC1L3MBTL1SMN1; SMN2CYP1A2
SCHEMBL2092052 0.81 GRIN2B (0.48) KDM4ERAB9ANPC1MAPTMEN1
SCHEMBL2090355 0.80 LMNA (0.44) KDM4ERAB9ANPC1MAPTMEN1
SCHEMBL2091937 0.80 GRIN2B (0.47) KDM4ERAB9ANPC1MAPTMEN1
SCHEMBL2090854 0.80 KDM4E (0.44) KDM4ERAB9ANPC1MAPTMEN1
SCHEMBL2088774 0.79 LMNA (0.43) KDM4ERAB9ANPC1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069346-B1 ACETAMIDE AND CARBOXAMIDE DERIVATIVES OF AZAADAMANTANE AND METHODS OF USE THEREOF ABBOTT LAB (US) 2011-12-21 EP claimed
US-20080255179-A1 Acetamide and Carboxamide Derivatives of Azaadamantane and Methods of Use Thereof ABBOTT LABORATORIES (US) 2008-10-16 US claimed
US-20120190706-A1 ACETAMIDE AND CARBOXAMIDE DERIVATIVES OF AZAADAMANTANE AND METHODS OF USE THEREOF SCANIO MARC J C (US) 2012-07-26 US disclosed
US-8163914-B2 Modulate neuronal nicotinic receptor activity; attention deficit disorder, Parkinson's, Tourette's, schizophrenia, cognitive deficits, dementia; acute pain, post-surgical pain, chronic pain, inflammatory pain; 2-[1-azatricyclo[3.3.1.13,7]dec-4-ylidene]-N-(4-methylphenyl)acetamide ABBOTT LABORATORIES (US) 2012-04-24 US disclosed
EP-2069346-B1 ACETAMIDE AND CARBOXAMIDE DERIVATIVES OF AZAADAMANTANE AND METHODS OF USE THEREOF ABBOTT LAB (US) 2011-12-21 EP disclosed
US-20080255179-A1 Acetamide and Carboxamide Derivatives of Azaadamantane and Methods of Use Thereof ABBOTT LABORATORIES (US) 2008-10-16 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 (2 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-20080255179-A1 Acetamide and Carboxamide Derivatives of Azaadamantane and Methods of Use Thereof NAAA, AADAC, CD38 KDM4E 102/4885RAB9A 3262/4885NPC1 3584/4885
US-20120190706-A1 ACETAMIDE AND CARBOXAMIDE DERIVATIVES OF AZAADAMANTANE AND METHODS OF USE THEREOF NAAA, AADAC, CD38 KDM4E 102/4885RAB9A 3262/4885NPC1 3584/4885

“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.