SCHEMBL3534880

SCHEMBL3534880

N#Cc1cccnc1N1C[C@@H]2CN(C(=O)O)C[C@@H]21

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.51
KDM4E B2RXH2 4/20 0.47
RECQL P46063 1/20 0.47
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HDAC2 Q92769 1/20 0.42
HCRTR1 O43613 6/20 0.41
HCRTR2 O43614 6/20 0.41
HSD11B1 P28845 2/20 0.41
PANK3 Q9H999 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
ELANE P08246 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
SCHEMBL3533543 1.00 GRM1 (0.51) GRM1KDM4ERECQLALDH1A1TDP1
SCHEMBL3295704 0.83 KDM4E (0.45) GRM1KDM4ERECQLALDH1A1HDAC2
SCHEMBL3287881 0.83 KDM4E (0.45) GRM1KDM4ERECQLALDH1A1HDAC2
SCHEMBL3538051 0.80 EPHX2 (0.41) GRM1HCRTR1HCRTR2
SCHEMBL3530567 0.80 EPHX2 (0.41) GRM1HCRTR1HCRTR2
SCHEMBL5901321 0.75 KDM4E (0.68) GRM1KDM4ERECQLALDH1A1TDP1
SCHEMBL3578692 0.72 CHRNB2 (0.61) HCRTR1HCRTR2
SCHEMBL3287887 0.72 KDM4E (0.42) GRM1KDM4ERECQLALDH1A1TDP1
SCHEMBL3295707 0.72 KDM4E (0.42) GRM1KDM4ERECQLALDH1A1TDP1
SCHEMBL3573477 0.71 CHRNB2 (0.55) HCRTR1HCRTR2

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 4 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-7704997-B1 Amino-tetrazole analogues and methods of use ABBOTT LABORATORIES (US) 2010-04-27 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 (1 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-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 GRM1 205/4885KDM4E 3458/4885RECQL 786/4885

“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.