SCHEMBL2090181

SCHEMBL2090181

B.CC(C)(C)c1ccc(NC(=O)C=C2C3CC4CC2CN(C4)C3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.39
EPHX2 P34913 2/20 0.39
EPHX1 P07099 1/20 0.39
MAPT P10636 4/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPK1 P28482 2/20 0.38
NPC1 O15118 2/20 0.38
MEN1 O00255 1/20 0.38
XBP1 P17861 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
KIF11 P52732 1/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
TP53 P04637 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC11 Q96DB2 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
SCHEMBL2092137 0.99 TRPV1 (0.40) TRPV1EPHX2EPHX1MAPTRAB9A
SCHEMBL2091017 0.88 TGM2 (0.47) TRPV1EPHX2RAB9ANPC1KIF11
SCHEMBL2089635 0.87 TGM2 (0.48) TRPV1EPHX2RAB9ANPC1KIF11
SCHEMBL2092083 0.86 TGM2 (0.43) EPHX1MAPTRAB9ANPC1KMT2A
SCHEMBL2090389 0.85 TGM2 (0.44) EPHX1MAPTRAB9ANPC1KMT2A
SCHEMBL2091320 0.84 NPC1 (0.41) EPHX2MAPTRAB9ASMN1; SMN2MAPK1
SCHEMBL2088774 0.84 LMNA (0.43) MAPTRAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL2094169 0.84 GRIN2B (0.43) EPHX2RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL2090355 0.83 LMNA (0.44) MAPTRAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL2089528 0.83 NPC1 (0.42) EPHX2MAPTRAB9ASMN1; SMN2MAPK1

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 TRPV1 3412/4885EPHX2 995/4885EPHX1 1950/4885
US-20120190706-A1 ACETAMIDE AND CARBOXAMIDE DERIVATIVES OF AZAADAMANTANE AND METHODS OF USE THEREOF NAAA, AADAC, CD38 TRPV1 3412/4885EPHX2 995/4885EPHX1 1950/4885

“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.