SCHEMBL3290261

SCHEMBL3290261

CN1CCCN(c2ncccc2C#N)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
MAPT P10636 1/20 0.59
DRD2 P14416 5/20 0.56
HTR2A P28223 4/20 0.56
HSD11B1 P28845 1/20 0.54
KDM4E B2RXH2 3/20 0.52
RECQL P46063 1/20 0.52
HTR1A P08908 1/20 0.52
HTR7 P34969 1/20 0.52
ROCK2 O75116 1/20 0.51
ROCK1 Q13464 1/20 0.51
CDC42BPA Q5VT25 1/20 0.51
CDC42BPB Q9Y5S2 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
DRD4 P21917 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL2076150 0.94 ALDH1A1 (0.64) ALDH1A1MAPTDRD2HTR2AHSD11B1
SCHEMBL30607591 0.94 ALDH1A1 (0.64) ALDH1A1MAPTDRD2HTR2AHSD11B1
SCHEMBL3287137 0.89 KDM4E (0.61) ALDH1A1MAPTDRD2HTR2AHSD11B1
SCHEMBL565864 0.86 KDM4E (0.61) ALDH1A1MAPTDRD2HTR2AHSD11B1
SCHEMBL3290416 0.85 KDM4E (0.59) ALDH1A1MAPTDRD2HTR2AHSD11B1
SCHEMBL30748716 0.85 KDM4E (0.59) ALDH1A1MAPTDRD2HTR2AHSD11B1
SCHEMBL6822065 0.85 KDM4E (0.59) ALDH1A1MAPTDRD2HTR2AHSD11B1
SCHEMBL30607636 0.82 ALDH1A1 (0.54) ALDH1A1MAPTDRD2HTR2AHSD11B1
SCHEMBL14818768 0.79 HSD11B1 (0.51) ALDH1A1HSD11B1HTR1AROCK2ROCK1
SCHEMBL2076147 0.79 ALDH1A1 (0.60) ALDH1A1MAPTDRD2HTR2AHSD11B1

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 ALDH1A1 3041/4885MAPT 3496/4885DRD2 1676/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 ALDH1A1 3041/4885MAPT 3496/4885DRD2 1676/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 ALDH1A1 3041/4885MAPT 3496/4885DRD2 1676/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 ALDH1A1 3045/4885MAPT 3341/4885DRD2 1803/4885

“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.