SCHEMBL3288209

SCHEMBL3288209

COc1cccc2c1CCC2CN

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
ADRA1D P25100 1/20 0.53
ADRA1A P35348 1/20 0.53
ADRA1B P35368 1/20 0.53
HTR2A P28223 1/20 0.51
DRD2 P14416 3/20 0.50
DRD3 P35462 3/20 0.50
HTR1A P08908 3/20 0.50
MEN1 O00255 2/20 0.50
CYP1A2 P05177 2/20 0.50
DRD4 P21917 2/20 0.50
HTR5A P47898 2/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP19A1 P11511 1/20 0.49
HSD11B1 P28845 1/20 0.49
SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL9549201 0.91 SIGMAR1 (0.57) ADRA2AADRA2BADRA2CSIGMAR1
SCHEMBL15839894 0.91 SIGMAR1 (0.57) ADRA2AADRA2BADRA2CSIGMAR1
Hydrochloric Acid SCHEMBL8811592 0.89 SIGMAR1 (0.56) ADRA2AADRA2BADRA2CSIGMAR1
Hydrochloric Acid SCHEMBL8809245 0.89 SIGMAR1 (0.56) ADRA2AADRA2BADRA2CSIGMAR1
Hydrochloric Acid SCHEMBL9328226 0.89 SIGMAR1 (0.56) ADRA2AADRA2BADRA2CSIGMAR1
SCHEMBL3148251 0.87 HTR2A (0.54) ADRA1AHTR2ADRD2DRD3CYP19A1
SCHEMBL6635715 0.83 MTNR1A (0.65) HTR1A
SCHEMBL10672797 0.83 HTR2A (0.52) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL7735712 0.82 MTNR1A (0.64) HTR1A
Hydrochloric Acid SCHEMBL11004885 0.81 HTR2A (0.51) ADRA2AADRA2BADRA2CADRA1DADRA1A

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 ADRA2A 214/4885ADRA2B 69/4885ADRA2C 146/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 ADRA2A 214/4885ADRA2B 69/4885ADRA2C 146/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 ADRA2A 214/4885ADRA2B 69/4885ADRA2C 146/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 ADRA2A 244/4885ADRA2B 69/4885ADRA2C 170/4885

“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.