SCHEMBL2089520

SCHEMBL2089520

BC(C(=O)Nc1cccnc1)=C1C2CC3CC1CN(C3)C2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
PKM P14618 1/20 0.47
GRIN2B Q13224 2/20 0.45
EPHX2 P34913 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
HIF1A Q16665 1/20 0.40
NAMPT P43490 2/20 0.40
P2RX7 Q99572 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
HPGD P15428 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
SCHEMBL2094174 0.85 GRIN2B (0.40) NPC1RAB9AGRIN2BEPHX2MEN1
SCHEMBL2091939 0.79 GRIN2B (0.45) NPC1RAB9AGRIN2BEPHX2MEN1
SCHEMBL2092086 0.78 NPC1 (0.40) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL2089627 0.78 GRIN2B (0.48) NPC1RAB9APKMGRIN2BEPHX2
SCHEMBL2089519 0.77 GRIN2B (0.47) NPC1RAB9APKMGRIN2BEPHX2
SCHEMBL2091020 0.75 EPHX2 (0.42) NPC1RAB9AEPHX2NAMPT
SCHEMBL30504811 0.70 RAB9A (0.89) NPC1RAB9APKMMEN1KMT2A
SCHEMBL6630167 0.66 RAB9A (0.79) NPC1RAB9APKMMEN1KMT2A
SCHEMBL3826822 0.65 DDB1 (0.41) GRIN2BEPHX2MEN1USP2KMT2A
SCHEMBL6989004 0.65 RAB9A (0.71) NPC1RAB9APKMMEN1KMT2A

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 NPC1 3584/4885RAB9A 3262/4885PKM 2536/4885
US-20120190706-A1 ACETAMIDE AND CARBOXAMIDE DERIVATIVES OF AZAADAMANTANE AND METHODS OF USE THEREOF NAAA, AADAC, CD38 NPC1 3584/4885RAB9A 3262/4885PKM 2536/4885

“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.