SCHEMBL2089154

SCHEMBL2089154

O=C(C=C1C2CC3CC1CN(C3)C2)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
PTPN1 P18031 2/20 0.40
PTPN11 Q06124 1/20 0.40
LPAR2 Q9HBW0 1/20 0.39
LPAR3 Q9UBY5 1/20 0.39
LMNA P02545 1/20 0.39
KDM1A O60341 1/20 0.38
GRIN2B Q13224 3/20 0.38
MITF O75030 1/20 0.38
HTT P42858 1/20 0.38
USP30 Q70CQ3 1/20 0.37
DHODH Q02127 1/20 0.36

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
SCHEMBL2091993 0.92 GRIN2B (0.44) RAB9ANPC1SMN1; SMN2LMNAGRIN2B
SCHEMBL2094169 0.91 GRIN2B (0.43) RAB9ANPC1SMN1; SMN2LMNAGRIN2B
SCHEMBL2090389 0.85 TGM2 (0.44) MAPTALDH1A1RAB9ANPC1KMT2A
SCHEMBL2090355 0.85 LMNA (0.44) MAPTALDH1A1KDM4ERAB9ANPC1
SCHEMBL2089528 0.85 NPC1 (0.42) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL2088774 0.84 LMNA (0.43) MAPTALDH1A1KDM4ERAB9ANPC1
SCHEMBL2092083 0.84 TGM2 (0.43) MAPTALDH1A1RAB9ANPC1KMT2A
SCHEMBL2091320 0.84 NPC1 (0.41) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL2089548 0.83 KDM4E (0.45) MAPTALDH1A1KDM4ERAB9ANPC1
SCHEMBL2091046 0.82 KDM4E (0.44) MAPTALDH1A1KDM4ERAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 MAPT 3490/4885ALDH1A1 293/4885KDM4E 102/4885
US-20120190706-A1 ACETAMIDE AND CARBOXAMIDE DERIVATIVES OF AZAADAMANTANE AND METHODS OF USE THEREOF NAAA, AADAC, CD38 MAPT 3490/4885ALDH1A1 293/4885KDM4E 102/4885

“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.