SCHEMBL3287221

SCHEMBL3287221

CC(C)(C)OC(=O)N1CCCN(c2ncccc2CN(S)C(=O)Nc2ccc(F)c(Cl)c2Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.40
POLB P06746 1/20 0.40
PDE10A Q9Y233 1/20 0.39
CNR2 P34972 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP3A5 P20815 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
TRPA1 O75762 3/20 0.37
TRPV1 Q8NER1 2/20 0.37
ACHE P22303 1/20 0.36
CXCR2 P25025 1/20 0.36
KIT P10721 1/20 0.36

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
SCHEMBL3533104 0.86 TRPA1 (0.43) RBP4POLBCNR2MEN1KMT2A
SCHEMBL3288493 0.85 RBP4 (0.41) RBP4POLBPDE10ACNR2GPR119
SCHEMBL3288662 0.76 P2RX7 (0.46) MEN1KMT2A
SCHEMBL3292110 0.74 P2RX7 (0.44) POLBPDE10ACYP3A4CYP3A5ACHE
SCHEMBL3287405 0.74 PDE10A (0.51) POLBPDE10AGPR119MEN1KMT2A
SCHEMBL3288760 0.74 MEN1 (0.46) CNR2MEN1KMT2A
SCHEMBL31652019 0.71 POLB (0.55) POLBGPR119CKS1BSKP1SKP2
SCHEMBL11366665 0.71 POLB (0.54) RBP4POLBGPR119CKS1BSKP1
SCHEMBL11356927 0.70 HRH3 (0.56) POLBGPR119CKS1BSKP1SKP2
SCHEMBL3533100 0.70 DGAT2 (0.48) POLBCNR2MEN1KMT2ATRPA1

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 10 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-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-20070049584-A1 Amino-tetrazoles analogues and methods of use ABBVIE INC. 2007-03-01 US disclosed
EP-1747206-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-01-31 EP disclosed
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 US disclosed
WO-2005111003-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-11-24 WO 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 RBP4 1798/4885POLB 3723/4885PDE10A 1854/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 RBP4 1798/4885POLB 3723/4885PDE10A 1854/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 RBP4 1798/4885POLB 3723/4885PDE10A 1854/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 RBP4 1780/4885POLB 3729/4885PDE10A 1946/4885

“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.