SCHEMBL3292803

SCHEMBL3292803

Cc1ccccc1-n1nnnc1N[C@H](C)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.69
ALDH1A1 P00352 7/20 0.52
TSHR P16473 3/20 0.52
PLK1 P53350 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
HSD11B1 P28845 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ATP1A1 P05023 4/20 0.41
ATP1B1 P05026 4/20 0.41
ATP1A3 P13637 4/20 0.41
ATP1B2 P14415 4/20 0.41
ATP1A2 P50993 4/20 0.41
ATP1B3 P54709 4/20 0.41
FXYD2 P54710 4/20 0.41
ATP1A4 Q13733 4/20 0.41
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL3289368 0.82 P2RX7 (1.00) P2RX7
SCHEMBL3290872 0.82 P2RX7 (1.00) P2RX7
SCHEMBL10078754 0.82 P2RX7 (1.00) P2RX7
SCHEMBL3290012 0.70 P2RX7 (0.79) P2RX7
SCHEMBL9395008 0.69 ALDH1A1 (1.00) ALDH1A1TSHRL3MBTL1HTTLMNA
Hydrochloric Acid SCHEMBL5471544 0.68 ALDH1A1 (0.97) ALDH1A1TSHRL3MBTL1HTTLMNA
SCHEMBL3291518 0.68 P2RX7 (0.74) P2RX7
SCHEMBL28455262 0.67 ALDH1A1 (0.62) P2RX7ALDH1A1TSHRL3MBTL1HTT
SCHEMBL11638648 0.67 ALDH1A1 (0.62) P2RX7ALDH1A1TSHRL3MBTL1HTT
SCHEMBL11175731 0.67 ALDH1A1 (0.62) P2RX7ALDH1A1TSHRL3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2012-12-27 US claimed
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 claimed
US-20070049584-A1 Amino-tetrazoles analogues and methods of use ABBVIE INC. 2007-03-01 US claimed
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 US claimed
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 P2RX7 1/4885ALDH1A1 3041/4885TSHR 543/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 P2RX7 1/4885ALDH1A1 3041/4885TSHR 543/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 P2RX7 1/4885ALDH1A1 3041/4885TSHR 543/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 P2RX7 1/4885ALDH1A1 3045/4885TSHR 513/4885

“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.