SCHEMBL175365

SCHEMBL175365

Cn1ccc(C2CCCN2)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
TAAR1 Q96RJ0 2/20 0.43
HCRTR2 O43614 1/20 0.43
CHRM2 P08172 5/20 0.40
CHRM5 P08912 5/20 0.40
CHRM3 P20309 5/20 0.40
CHRM4 P08173 4/20 0.40
CHRM1 P11229 4/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL20187349 1.00 DDB1 (0.44) DDB1CRBNTAAR1HCRTR2CHRM2
SCHEMBL19259525 0.79 TAAR1 (0.38) TAAR1CHRM2CHRM5CHRM3CHRM4
SCHEMBL3005912 0.78 DDB1 (0.40) DDB1CRBNHCRTR2
SCHEMBL25323566 0.77 DDB1 (0.42) DDB1CRBNHCRTR2
SCHEMBL25323562 0.77 DDB1 (0.42) DDB1CRBNHCRTR2
SCHEMBL25322338 0.74 DDB1 (0.40) DDB1CRBNHCRTR2
SCHEMBL25646040 0.73 CHRM2 (0.48) DDB1CRBNHCRTR2CHRM2CHRM3
SCHEMBL25646046 0.73 CHRM2 (0.48) DDB1CRBNHCRTR2CHRM2CHRM3
SCHEMBL25646038 0.73 CHRM2 (0.48) DDB1CRBNHCRTR2CHRM2CHRM3
SCHEMBL17069054 0.72 DDB1 (0.44) DDB1CRBNTAAR1CHRM2CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3008055-B1 TETRAZOLONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-07-19 EP disclosed
CN-103930426-B As [1,2,3] triazols [4, the 5-D] pyrimidine derivatives of Cannabined receptor 2 activators HOFFMAN-LA ROCHE LTD. (CH) 2016-05-11 CN disclosed
EP-3008055-A1 NOVEL TETRAZOLONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-04-20 EP disclosed
US-20160083357-A1 NOVEL TETRAZOLONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-03-24 US disclosed
EP-2776442-B1 [1, 2, 3]TRIAZOLO [4, 5 -D]PYRIMIDINE DERIVATIVES AS AGONISTS OF THE CANNABINOID RECEPTOR 2 HOFFMANN LA ROCHE (CH) 2015-10-21 EP disclosed
US-9056866-B2 [1,2,3]triazolo[4,5-D]pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2015-06-16 US disclosed
WO-2014198592-A1 NOVEL TETRAZOLONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-12-18 WO disclosed
US-20140288046-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2014-09-25 US disclosed
EP-2776442-A1 [1, 2, 3]TRIAZOLO [4, 5 -D]PYRIMIDINE DERIVATIVES AS AGONISTS OF THE CANNABINOID RECEPTOR 2 F.HOFFMANN-LA ROCHE AG (CH) 2014-09-17 EP disclosed
CN-103930426-A [1, 2, 3] triazolo [4, 5 -d] pyrimidine derivatives as agonists of the cannabinoid receptor 2 HOFFMANN LA ROCHE 2014-07-16 CN disclosed
US-8741906-B2 [1,2,3]triazolo[4,5-D]pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2014-06-03 US disclosed
EP-2611441-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-10 EP disclosed
WO-2013068306-A1 [1, 2, 3] TRIAZOLO [4, 5 -D] PYRIMIDINE DERIVATIVES AS AGONISTS OF THE CANNABINOID RECEPTOR 2 F. HOFFMANN-LA ROCHE AG (CH) 2013-05-16 WO disclosed
US-20130116236-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-09 US disclosed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 WO disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 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-20160083357-A1 NOVEL TETRAZOLONE DERIVATIVES TBXA2R, CYP11B2, NR1I2 DDB1 4123/4885CRBN 2121/4885TAAR1 102/4885
US-20130116236-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES TYMS, TBXA2R, TYMP DDB1 1245/4885CRBN 4463/4885TAAR1 494/4885
US-20120053200-A1 BACE 2 INHIBITORS BACE2, BACE1, PSEN2 DDB1 3128/4885CRBN 2894/4885TAAR1 3589/4885
US-20140288046-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES TYMS, TBXA2R, TYMP DDB1 1245/4885CRBN 4463/4885TAAR1 494/4885

“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.