SCHEMBL2091017

SCHEMBL2091017

B.O=C(C=C1C2CC3CC1CN(C3)C2)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.47
EPHX2 P34913 2/20 0.42
MAOB P27338 1/20 0.41
TRPV1 Q8NER1 1/20 0.39
NAMPT P43490 1/20 0.39
USP30 Q70CQ3 2/20 0.38
KIF11 P52732 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PAX8 Q06710 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 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
SCHEMBL2089635 0.99 TGM2 (0.48) TGM2EPHX2MAOBTRPV1NAMPT
SCHEMBL2090181 0.88 TRPV1 (0.39) EPHX2TRPV1KIF11NPC1RAB9A
SCHEMBL2092137 0.87 TRPV1 (0.40) EPHX2TRPV1KIF11NPC1RAB9A
SCHEMBL2089248 0.85 KMT2A (0.48) EPHX2TRPV1ALDH1A1
SCHEMBL2090948 0.85 TGM2 (0.44) TGM2NPC1RAB9AALDH1A1
SCHEMBL2092083 0.84 TGM2 (0.43) TGM2NAMPTNPC1RAB9AALDH1A1
SCHEMBL2088774 0.84 LMNA (0.43) TGM2NPC1RAB9AALDH1A1
SCHEMBL2091320 0.84 NPC1 (0.41) EPHX2NPC1RAB9AALDH1A1
SCHEMBL2089169 0.84 KMT2A (0.49) EPHX2TRPV1ALDH1A1
SCHEMBL2094169 0.84 GRIN2B (0.43) TGM2EPHX2MAOBNPC1RAB9A

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 TGM2 2493/4885EPHX2 995/4885MAOB 381/4885
US-20120190706-A1 ACETAMIDE AND CARBOXAMIDE DERIVATIVES OF AZAADAMANTANE AND METHODS OF USE THEREOF NAAA, AADAC, CD38 TGM2 2493/4885EPHX2 995/4885MAOB 381/4885

“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.