SCHEMBL2089528

SCHEMBL2089528

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.42
RAB9A P51151 5/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 6/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
THRB P10828 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
P2RX7 Q99572 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
LMNA P02545 3/20 0.39
MAPK1 P28482 1/20 0.39
TP53 P04637 1/20 0.38
NFKB1 P19838 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
SCHEMBL2091320 0.99 NPC1 (0.41) NPC1RAB9AHTTSMN1; SMN2GAA
SCHEMBL2090948 0.87 TGM2 (0.44) NPC1RAB9AHTTSMN1; SMN2MAPT
SCHEMBL2090389 0.87 TGM2 (0.44) NPC1RAB9AMAPTALDH1A1KMT2A
SCHEMBL2090355 0.87 LMNA (0.44) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL2091993 0.86 GRIN2B (0.44) NPC1RAB9ASMN1; SMN2L3MBTL1P2RX7
SCHEMBL2088774 0.86 LMNA (0.43) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL2092083 0.86 TGM2 (0.43) NPC1RAB9AMAPTALDH1A1KMT2A
SCHEMBL2094169 0.85 GRIN2B (0.43) NPC1RAB9ASMN1; SMN2L3MBTL1P2RX7
SCHEMBL2092052 0.85 GRIN2B (0.48) NPC1RAB9AHTTSMN1; SMN2MAPT
SCHEMBL2089154 0.85 MAPT (0.46) NPC1RAB9AHTTSMN1; SMN2MAPT

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 NPC1 3584/4885RAB9A 3262/4885HTT 2420/4885
US-20120190706-A1 ACETAMIDE AND CARBOXAMIDE DERIVATIVES OF AZAADAMANTANE AND METHODS OF USE THEREOF NAAA, AADAC, CD38 NPC1 3584/4885RAB9A 3262/4885HTT 2420/4885

“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.