SCHEMBL2092086

SCHEMBL2092086

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.40
RAB9A P51151 8/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
TP53 P04637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ELOVL6 Q9H5J4 1/20 0.35
EPHX1 P07099 1/20 0.35
NAMPT P43490 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35

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 0.87 KDM4E (0.42) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL2091323 0.87 IDO1 (0.40) NPC1RAB9APOLBMAPTSMN1; SMN2
SCHEMBL2094174 0.87 GRIN2B (0.40) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL2090183 0.86 EPHX2 (0.39) NPC1RAB9APOLBMAPTSMN1; SMN2
SCHEMBL2089520 0.78 NPC1 (0.47) NPC1RAB9APOLBMEN1ALDH1A1
SCHEMBL2090389 0.75 TGM2 (0.44) NPC1RAB9APOLBMAPTTDP1
SCHEMBL2092083 0.74 TGM2 (0.43) NPC1RAB9APOLBMAPTTDP1
SCHEMBL2091098 0.74 RAB9A (0.49) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL2091084 0.74 NPC1 (0.45) NPC1RAB9APOLBMAPTSMN1; SMN2
SCHEMBL2090347 0.72 ADRA2A (0.30)

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 NPC1 3584/4885RAB9A 3262/4885POLB 969/4885
US-20120190706-A1 ACETAMIDE AND CARBOXAMIDE DERIVATIVES OF AZAADAMANTANE AND METHODS OF USE THEREOF NAAA, AADAC, CD38 NPC1 3584/4885RAB9A 3262/4885POLB 969/4885

“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.