SCHEMBL2091020

SCHEMBL2091020

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.42
DHODH Q02127 2/20 0.40
TRPV1 Q8NER1 1/20 0.39
NAMPT P43490 1/20 0.39
RORC P51449 1/20 0.39
USP30 Q70CQ3 2/20 0.38
KIF11 P52732 1/20 0.38
TGM2 P21980 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ELOVL6 Q9H5J4 1/20 0.38
PAX8 Q06710 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
SCHEMBL2090183 0.88 EPHX2 (0.39) EPHX2TRPV1KIF11NPC1RAB9A
SCHEMBL2089249 0.85 EPHX2 (0.46) EPHX2TRPV1
SCHEMBL2088778 0.84 KDM4E (0.42) NPC1RAB9A
SCHEMBL2092086 0.84 NPC1 (0.40) NAMPTNPC1RAB9AELOVL6
SCHEMBL2091323 0.84 IDO1 (0.40) EPHX2NPC1RAB9A
SCHEMBL2094174 0.84 GRIN2B (0.40) EPHX2NPC1RAB9A
SCHEMBL2089635 0.77 TGM2 (0.48) EPHX2TRPV1NAMPTUSP30KIF11
SCHEMBL2091017 0.76 TGM2 (0.47) EPHX2TRPV1NAMPTUSP30KIF11
SCHEMBL2089520 0.75 NPC1 (0.47) EPHX2NAMPTNPC1RAB9A
SCHEMBL2091939 0.75 GRIN2B (0.45) EPHX2NPC1RAB9A

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 995/4885DHODH 431/4885TRPV1 3412/4885
US-20120190706-A1 ACETAMIDE AND CARBOXAMIDE DERIVATIVES OF AZAADAMANTANE AND METHODS OF USE THEREOF NAAA, AADAC, CD38 EPHX2 995/4885DHODH 431/4885TRPV1 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.