SCHEMBL3296125

SCHEMBL3296125

CCN(CC)CCOc1ccccc1CN

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.68
DRD1 P21728 2/20 0.68
DRD3 P35462 1/20 0.68
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
HTR1B P28222 2/20 0.48
HTR1D P28221 1/20 0.48
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
CYP1A2 P05177 1/20 0.46
LTA4H P09960 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
BIRC5 O15392 1/20 0.45
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL8796151 0.92 DRD2 (0.57) DRD2DRD1DRD3KDM4EALDH1A1
SCHEMBL14970711 0.86 DRD2 (0.71) DRD2DRD1DRD3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL14966190 0.85 DRD2 (0.69) DRD2DRD1DRD3KDM4EALDH1A1
SCHEMBL9706154 0.84 DRD3 (0.67) DRD2DRD1DRD3KDM4EALDH1A1
SCHEMBL14322489 0.83 DRD2 (0.68) DRD2DRD1DRD3KDM4EALDH1A1
SCHEMBL109620 0.83 DRD2 (0.66) DRD2DRD1KDM4EALDH1A1LMNA
SCHEMBL8700220 0.82 DRD2 (0.66) DRD2DRD1DRD3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL8704465 0.81 DRD2 (0.64) DRD2DRD1DRD3KDM4EALDH1A1
Etoloxamine SCHEMBL2110223 0.81 DRD1 (1.00) DRD2DRD1DRD3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL10503800 0.81 DRD2 (0.64) DRD2DRD1DRD3KDM4EALDH1A1

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 8 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
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 DRD2 1676/4885DRD1 2341/4885DRD3 1467/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 DRD2 1676/4885DRD1 2341/4885DRD3 1467/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 DRD2 1676/4885DRD1 2341/4885DRD3 1467/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 DRD2 1803/4885DRD1 2307/4885DRD3 1522/4885

“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.