SCHEMBL2090183

SCHEMBL2090183

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.39
EPHX1 P07099 1/20 0.39
RAB9A P51151 3/20 0.38
MAPT P10636 3/20 0.38
MAPK1 P28482 2/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
XBP1 P17861 1/20 0.38
HTT P42858 1/20 0.38
KIF11 P52732 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
CNR2 P34972 4/20 0.37
CNR1 P21554 1/20 0.37
LMNA P02545 3/20 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
SCHEMBL2091020 0.88 EPHX2 (0.42) EPHX2RAB9ANPC1KIF11TRPV1
SCHEMBL2092086 0.86 NPC1 (0.40) EPHX1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL2088778 0.84 KDM4E (0.42) EPHX1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL2094174 0.84 GRIN2B (0.40) EPHX2EPHX1RAB9AMAPTNPC1
SCHEMBL2090181 0.76 TRPV1 (0.39) EPHX2EPHX1RAB9AMAPTMAPK1
SCHEMBL2091939 0.75 GRIN2B (0.45) EPHX2EPHX1RAB9AMAPTNPC1
SCHEMBL2089520 0.75 NPC1 (0.47) EPHX2RAB9AMAPK1NPC1MEN1
SCHEMBL2091084 0.71 NPC1 (0.45) EPHX1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL2091098 0.71 RAB9A (0.49) EPHX2RAB9AMAPTMAPK1NPC1
SCHEMBL2092388 0.68 KMT2A (0.43) EPHX1RAB9AMAPTNPC1SMN1; SMN2

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 EPHX2 995/4885EPHX1 1950/4885RAB9A 3262/4885
US-20120190706-A1 ACETAMIDE AND CARBOXAMIDE DERIVATIVES OF AZAADAMANTANE AND METHODS OF USE THEREOF NAAA, AADAC, CD38 EPHX2 995/4885EPHX1 1950/4885RAB9A 3262/4885

“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.