SCHEMBL2089519

SCHEMBL2089519

B.O=C(C=C1C2CC3CC1CN(C3)C2)Nc1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.47
TP53 P04637 1/20 0.47
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
EPHX2 P34913 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HIF1A Q16665 1/20 0.43
PKM P14618 1/20 0.41
NAMPT P43490 2/20 0.40
POLB P06746 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
SCHEMBL2089627 0.99 GRIN2B (0.48) GRIN2BTP53ALDH1A1KDM4EEPHX2
SCHEMBL2094169 0.85 GRIN2B (0.43) GRIN2BTP53EPHX2NPC1RAB9A
SCHEMBL2091993 0.84 GRIN2B (0.44) GRIN2BTP53EPHX2NPC1RAB9A
SCHEMBL2091937 0.79 GRIN2B (0.47) GRIN2BALDH1A1KDM4EMEN1KMT2A
SCHEMBL2089305 0.78 NPC1 (0.50) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL2091320 0.78 NPC1 (0.41) TP53ALDH1A1EPHX2MEN1KMT2A
SCHEMBL2088774 0.78 LMNA (0.43) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL2091095 0.78 RAB9A (0.43) ALDH1A1KDM4EEPHX2MEN1KMT2A
SCHEMBL2092052 0.78 GRIN2B (0.48) GRIN2BALDH1A1KDM4EMEN1KMT2A
SCHEMBL2089154 0.77 MAPT (0.46) GRIN2BALDH1A1KDM4EMEN1KMT2A

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 GRIN2B 607/4885TP53 3485/4885ALDH1A1 293/4885
US-20120190706-A1 ACETAMIDE AND CARBOXAMIDE DERIVATIVES OF AZAADAMANTANE AND METHODS OF USE THEREOF NAAA, AADAC, CD38 GRIN2B 607/4885TP53 3485/4885ALDH1A1 293/4885

“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.