SCHEMBL3055880

SCHEMBL3055880

CCOC(=O)CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.56
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TMEM97 Q5BJF2 4/20 0.51
SIGMAR1 Q99720 4/20 0.51
SLC6A2 P23975 2/20 0.51
HRH2 P25021 2/20 0.51
HRH1 P35367 2/20 0.51
CHRM1 P11229 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
HTR1A P08908 2/20 0.51
CHRM5 P08912 1/20 0.51
ADRA1D P25100 1/20 0.51
HTR1B P28222 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR1E P28566 1/20 0.51
HTR2B P41595 1/20 0.51
SLC6A3 Q01959 1/20 0.51

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
SCHEMBL2662051 0.89 MGLL (0.58) MGLLALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL6005510 0.86 MAPT (0.67) ALDH1A1KMT2AHTR1ALMNAMAPT
SCHEMBL11162215 0.83 KCNH2 (0.60) ALDH1A1TMEM97SIGMAR1SLC6A2HRH2
SCHEMBL10763277 0.82 HTR1A (0.65) ALDH1A1HTR1AHTR2AHTR2CHTR7
SCHEMBL5781834 0.82 MAPT (0.73) MGLLALDH1A1KMT2ALMNAMAPT
SCHEMBL27467416 0.82 SIGMAR1 (0.53) ALDH1A1MEN1KMT2ASIGMAR1DRD2
SCHEMBL11628265 0.81 DRD2 (0.66) ALDH1A1TMEM97SIGMAR1SLC6A2HRH2
SCHEMBL11168983 0.81 TMEM97 (0.54) MGLLALDH1A1TMEM97SIGMAR1SLC6A2
SCHEMBL14220881 0.81 HTR7 (0.54) ALDH1A1MEN1KMT2ADRD2DRD3
SCHEMBL3056132 0.81 MGLL (0.51) MGLLALDH1A1DRD2DRD3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183227-B1 1,2,4-TRIAZOLE DERIVATIVES AS SEROTONERGIC MODULATORS PROSARIX LTD (GB) 2014-09-24 EP disclosed
EP-2183227-B1 1,2,4-TRIAZOLE DERIVATIVES AS SEROTONERGIC MODULATORS PROSARIX LTD (GB) 2014-09-24 EP disclosed
CN-101827828-B 1, 2, 4 -triazole derivatives as serotonergic modulators PROSARIX LTD 2013-02-27 CN disclosed
US-8222254-B2 1, 2, 4-triazole derivatives as serotonergic modulators PROSARIX LIMITED (GB) 2012-07-17 US disclosed
US-8222254-B2 1, 2, 4-triazole derivatives as serotonergic modulators PROSARIX LIMITED (GB) 2012-07-17 US disclosed
US-8222254-B2 1, 2, 4-triazole derivatives as serotonergic modulators PROSARIX LIMITED (GB) 2012-07-17 US disclosed
US-20100261732-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS SEROTONERGIC MODULATORS PROSARIX LIMITED 2010-10-14 US disclosed
US-20100261732-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS SEROTONERGIC MODULATORS PROSARIX LIMITED 2010-10-14 US disclosed
US-20100261732-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS SEROTONERGIC MODULATORS PROSARIX LIMITED 2010-10-14 US disclosed
CN-101827828-A 1, 2, 4 -triazole derivatives as serotonergic modulators PROSARIX LTD 2010-09-08 CN disclosed
EP-2183227-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS SEROTONERGIC MODULATORS Prosarix Limited (GB) 2010-05-12 EP disclosed
WO-2009019472-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS SEROTONERGIC MODULATORS PROSARIX LIMITED (GB) 2009-02-12 WO disclosed
WO-2009019472-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS SEROTONERGIC MODULATORS PROSARIX LIMITED (GB) 2009-02-12 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 (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-20100261732-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS SEROTONERGIC MODULATORS HTR1A, HTR5A, TPH1 MGLL 2628/4885ALDH1A1 2185/4885MEN1 2932/4885

“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.