SCHEMBL2089249

SCHEMBL2089249

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.46
EPHX1 P07099 4/20 0.42
TRPV1 Q8NER1 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ACHE P22303 1/20 0.41
HPGD P15428 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL2088778 0.81 KDM4E (0.42) EPHX1KDM4EALDH1A1MEN1KMT2A
SCHEMBL2092086 0.81 NPC1 (0.40) EPHX1KDM4EALDH1A1POLBMEN1
SCHEMBL2091323 0.81 IDO1 (0.40) EPHX2EPHX1ALDH1A1POLBMEN1
SCHEMBL2094174 0.81 GRIN2B (0.40) EPHX2EPHX1ALDH1A1MEN1KMT2A
SCHEMBL2090183 0.81 EPHX2 (0.39) EPHX2EPHX1TRPV1POLBMEN1
SCHEMBL2089169 0.79 KMT2A (0.49) EPHX2EPHX1TRPV1KDM4EALDH1A1
SCHEMBL2089248 0.78 KMT2A (0.48) EPHX2EPHX1TRPV1KDM4EALDH1A1
SCHEMBL2089520 0.73 NPC1 (0.47) EPHX2ALDH1A1POLBMEN1KMT2A
SCHEMBL2091084 0.69 NPC1 (0.45) EPHX1KDM4EALDH1A1POLBMEN1
SCHEMBL30140846 0.66 EPHX2 (0.69) EPHX2EPHX1TRPV1KDM4EMEN1

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

“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.