SCHEMBL2091323

SCHEMBL2091323

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.40
P2RX7 Q99572 1/20 0.39
NPC1 O15118 8/20 0.39
RAB9A P51151 7/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 3/20 0.38
TP53 P04637 2/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
LMNA P02545 1/20 0.38
EPHX2 P34913 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.35
NLRP1 Q9C000 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) P2RX7NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2092086 0.87 NPC1 (0.40) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL2094174 0.87 GRIN2B (0.40) P2RX7NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2091939 0.85 GRIN2B (0.45) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL2091020 0.84 EPHX2 (0.42) NPC1RAB9AEPHX2
SCHEMBL2090183 0.84 EPHX2 (0.39) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL2092388 0.82 KMT2A (0.43) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL2089520 0.78 NPC1 (0.47) P2RX7NPC1RAB9ATP53LMNA
SCHEMBL2090353 0.77 KMT2A (0.33) MAPTKMT2A
SCHEMBL2089528 0.75 NPC1 (0.42) P2RX7NPC1RAB9ASMN1; SMN2MAPT

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 IDO1 682/4885P2RX7 822/4885NPC1 3584/4885
US-20120190706-A1 ACETAMIDE AND CARBOXAMIDE DERIVATIVES OF AZAADAMANTANE AND METHODS OF USE THEREOF NAAA, AADAC, CD38 IDO1 682/4885P2RX7 822/4885NPC1 3584/4885

“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.