SCHEMBL2089169

SCHEMBL2089169

O=C(C=C1C2CC3CC1CN(C3)C2)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
EPHX2 P34913 12/20 0.47
EPHX1 P07099 3/20 0.43
LIPE Q05469 2/20 0.43
TRPV1 Q8NER1 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
ACHE P22303 1/20 0.41

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
SCHEMBL2089248 0.99 KMT2A (0.48) KMT2AEPHX2EPHX1LIPETRPV1
SCHEMBL2091017 0.84 TGM2 (0.47) EPHX2TRPV1ALDH1A1
SCHEMBL2090948 0.83 TGM2 (0.44) KMT2AEPHX1KDM4EALDH1A1POLB
SCHEMBL2090355 0.81 LMNA (0.44) KMT2AKDM4EALDH1A1
SCHEMBL2089528 0.81 NPC1 (0.42) KMT2AEPHX2ALDH1A1POLB
SCHEMBL2090389 0.81 TGM2 (0.44) KMT2AEPHX1ALDH1A1POLB
SCHEMBL2091993 0.80 GRIN2B (0.44) EPHX2ACHE
SCHEMBL2092137 0.80 TRPV1 (0.40) KMT2AEPHX2EPHX1TRPV1KDM4E
SCHEMBL2088774 0.80 LMNA (0.43) KMT2AKDM4EALDH1A1
SCHEMBL2089154 0.79 MAPT (0.46) KMT2AKDM4EALDH1A1

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 KMT2A 228/4885EPHX2 995/4885EPHX1 1950/4885
US-20120190706-A1 ACETAMIDE AND CARBOXAMIDE DERIVATIVES OF AZAADAMANTANE AND METHODS OF USE THEREOF NAAA, AADAC, CD38 KMT2A 228/4885EPHX2 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.