SCHEMBL2094174

SCHEMBL2094174

BC(C(=O)Nc1ccccc1)=C1C2CC3CC1CN(C3)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.40
CHRNA7 P36544 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 3/20 0.37
P2RX7 Q99572 2/20 0.37
EPHX2 P34913 2/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX1 P07099 1/20 0.35
TSHR P16473 1/20 0.35
CDK9 P50750 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL2092086 0.87 NPC1 (0.40) NPC1RAB9ASMN1; SMN2TP53L3MBTL1
SCHEMBL2091323 0.87 IDO1 (0.40) CHRNA7NPC1RAB9ASMN1; SMN2TP53
SCHEMBL2091939 0.85 GRIN2B (0.45) GRIN2BNPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL2089520 0.85 NPC1 (0.47) GRIN2BNPC1RAB9ATP53P2RX7
SCHEMBL2091020 0.84 EPHX2 (0.42) NPC1RAB9AEPHX2
SCHEMBL2091098 0.81 RAB9A (0.49) NPC1RAB9ASMN1; SMN2TP53P2RX7
SCHEMBL2090353 0.79 KMT2A (0.33) KMT2AMAPT
SCHEMBL2091993 0.74 GRIN2B (0.44) GRIN2BCHRNA7NPC1RAB9ASMN1; SMN2
SCHEMBL2094169 0.73 GRIN2B (0.43) GRIN2BCHRNA7NPC1RAB9ASMN1; SMN2
SCHEMBL2092388 0.72 KMT2A (0.43) NPC1RAB9ASMN1; SMN2TP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GRIN2B 607/4885CHRNA7 572/4885NPC1 3584/4885
US-20120190706-A1 ACETAMIDE AND CARBOXAMIDE DERIVATIVES OF AZAADAMANTANE AND METHODS OF USE THEREOF NAAA, AADAC, CD38 GRIN2B 607/4885CHRNA7 572/4885NPC1 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.