SCHEMBL2090948

SCHEMBL2090948

O=C(C=C1C2CC3CC1CN(C3)C2)Nc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.44
GRIN2B Q13224 3/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MMP1 P03956 2/20 0.39
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
EGFR P00533 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL2090355 0.87 LMNA (0.44) TGM2KMT2AMEN1MAPTALDH1A1
SCHEMBL2089528 0.87 NPC1 (0.42) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL2090389 0.87 TGM2 (0.44) TGM2GRIN2BKMT2AMAPTALDH1A1
SCHEMBL2091993 0.86 GRIN2B (0.44) TGM2GRIN2BL3MBTL1MMP1MMP2
SCHEMBL2089635 0.86 TGM2 (0.48) TGM2ALDH1A1NPC1RAB9A
SCHEMBL2092083 0.86 TGM2 (0.43) TGM2GRIN2BKMT2AMAPTALDH1A1
SCHEMBL2088774 0.86 LMNA (0.43) TGM2KMT2AMEN1MAPTALDH1A1
SCHEMBL2091320 0.86 NPC1 (0.41) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL2094169 0.85 GRIN2B (0.43) TGM2GRIN2BL3MBTL1MMP1MMP2
SCHEMBL2091017 0.85 TGM2 (0.47) TGM2ALDH1A1NPC1RAB9A

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 TGM2 2493/4885GRIN2B 607/4885KMT2A 228/4885
US-20120190706-A1 ACETAMIDE AND CARBOXAMIDE DERIVATIVES OF AZAADAMANTANE AND METHODS OF USE THEREOF NAAA, AADAC, CD38 TGM2 2493/4885GRIN2B 607/4885KMT2A 228/4885

“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.