SCHEMBL3287405

SCHEMBL3287405

CC(C)(C)OC(=O)N1CCCN(c2ncccc2CN)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.51
CKS1B P61024 2/20 0.50
SKP1 P63208 2/20 0.50
SKP2 Q13309 2/20 0.50
POLB P06746 1/20 0.49
KIT P10721 2/20 0.47
GPR119 Q8TDV5 6/20 0.46
ACHE P22303 2/20 0.46
DTYMK P23919 1/20 0.45
GBA1 P04062 1/20 0.45
TRPV1 Q8NER1 2/20 0.44
TRPA1 O75762 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL5901303 0.96 POLB (0.53) PDE10ACKS1BSKP1SKP2POLB
SCHEMBL31652019 0.86 POLB (0.55) CKS1BSKP1SKP2POLBKIT
SCHEMBL11366665 0.85 POLB (0.54) CKS1BSKP1SKP2POLBKIT
SCHEMBL2465277 0.83 NCF1 (0.56) PDE10ACKS1BSKP1SKP2GPR119
SCHEMBL3503998 0.82 PDE10A (0.52) PDE10ACKS1BSKP1SKP2POLB
SCHEMBL8923132 0.82 POLB (0.55) PDE10ACKS1BSKP1SKP2POLB
SCHEMBL8985778 0.81 POLB (0.50) PDE10ACKS1BSKP1SKP2POLB
SCHEMBL3288391 0.80 MEN1 (0.58) PDE10ACKS1BSKP1SKP2POLB
SCHEMBL3335222 0.80 POLB (0.56) PDE10ACKS1BSKP1SKP2POLB
SCHEMBL29741422 0.80 POLB (0.56) PDE10ACKS1BSKP1SKP2POLB

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546374-B2 Amino-tetrazoles analogues and methods of use ABBVIE INC. (US) 2013-10-01 US disclosed
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2012-12-27 US disclosed
US-8217067-B2 Antiinflammatory agents, antidepressants, analgesics, purinergic receptor antagonists; neurodegenerative diseases, spinal cord injuries; 1-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]-1H-tetraazol-5-amine ABBOTT LABORATORIES (US) 2012-07-10 US disclosed
US-7723367-B2 Amino-tetrazoles analogues and methods of use ABBOTT LABORATORIES (US) 2010-05-25 US disclosed
US-7709469-B2 P2X7 receptor antagonists and methods of use ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
US-7704997-B1 Amino-tetrazole analogues and methods of use ABBOTT LABORATORIES (US) 2010-04-27 US disclosed
US-20080171733-A1 Amino-Tetrazoles Analogues and Methods of Use ABBOTT LABORATORIES (US) 2008-07-17 US disclosed
US-20070105842-A1 P2X7 receptor antagonists and methods of use ABBVIE INC. 2007-05-10 US disclosed
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 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 (4 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-20080171733-A1 Amino-Tetrazoles Analogues and Methods of Use P2RX7, P2RX2, P2RX5 PDE10A 1854/4885CKS1B 2338/4885SKP1 4554/4885
US-20070105842-A1 P2X7 receptor antagonists and methods of use P2RX7, P2RX1, P2RX3 PDE10A 512/4885CKS1B 3119/4885SKP1 3622/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 PDE10A 1854/4885CKS1B 2338/4885SKP1 4554/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 PDE10A 1946/4885CKS1B 2537/4885SKP1 4572/4885

“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.