SCHEMBL3288708

SCHEMBL3288708

N#Cc1cccnc1N1C[C@@H]2C3CCC(O3)[C@@H]2C1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
RECQL P46063 1/20 0.51
GRM1 Q13255 2/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
DPP4 P27487 1/20 0.44
PREP P48147 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
GRM5 P41594 4/20 0.43
DRD2 P14416 3/20 0.43
HTR2A P28223 2/20 0.43
HSD11B1 P28845 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
ACKR3 P25106 1/20 0.40
KCNMA1 Q12791 1/20 0.40
MALT1 Q9UDY8 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
SCHEMBL3290456 0.82 KDM4E (0.58) KDM4ERECQLGRM1ALDH1A1MAPT
SCHEMBL4635503 0.81 KDM4E (0.54) KDM4ERECQLGRM1ALDH1A1MAPT
SCHEMBL3287570 0.80 KDM4E (0.50) KDM4ERECQLGRM1ALDH1A1MAPT
SCHEMBL30556695 0.78 GRM1 (0.60) KDM4ERECQLGRM1ALDH1A1MAPT
SCHEMBL3291085 0.75 DPP4 (0.33) DPP4
SCHEMBL1514427 0.74 KDM4E (0.64) KDM4ERECQLGRM1ALDH1A1MAPT
SCHEMBL5615322 0.74 KDM4E (0.64) KDM4ERECQLGRM1ALDH1A1MAPT
SCHEMBL30607601 0.74 GRM1 (0.53) KDM4ERECQLGRM1ALDH1A1MAPT
SCHEMBL3291180 0.74 KDM4E (0.67) KDM4ERECQLALDH1A1MAPTDRD2
Hydrochloric Acid SCHEMBL1514615 0.73 KDM4E (0.62) KDM4ERECQLGRM1ALDH1A1MAPT

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 KDM4E 3458/4885RECQL 786/4885GRM1 205/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 KDM4E 3458/4885RECQL 786/4885GRM1 205/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 KDM4E 3458/4885RECQL 786/4885GRM1 205/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 KDM4E 3452/4885RECQL 837/4885GRM1 201/4885

“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.