SCHEMBL3045487

SCHEMBL3045487

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

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HTR1A P08908 1/20 0.51
DRD2 P14416 2/20 0.51
DRD3 P35462 2/20 0.51
DRD4 P21917 1/20 0.51
HTR7 P34969 1/20 0.49
POLB P06746 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
LMNA P02545 1/20 0.48
ENPP2 Q13822 1/20 0.47

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
SCHEMBL3187979 0.83 DRD2 (0.57) HTR1ADRD2DRD3DRD4HTR7
SCHEMBL10764516 0.82 HTR1A (0.68) KMT2AHTR1ADRD2HTR7MAPT
SCHEMBL520396 0.81 HTR7 (0.56) KMT2AMEN1ALDH1A1DRD2DRD3
SCHEMBL31232720 0.81 HTR7 (0.56) KMT2AMEN1DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL31232759 0.80 HTR7 (0.58) KMT2AMEN1DRD2DRD3DRD4
SCHEMBL3055880 0.80 MGLL (0.56) KMT2AMEN1ALDH1A1HTR1ADRD2
SCHEMBL2658444 0.79 POLB (0.52) KMT2AMEN1ALDH1A1DRD2DRD3
SCHEMBL28784875 0.79 MAPT (0.69) KMT2AMEN1HTR1ADRD2DRD4
SCHEMBL3878699 0.78 DRD2 (0.54) KMT2AMEN1DRD2DRD3DRD4
SCHEMBL3187986 0.78 DRD2 (0.54) KMT2AMEN1DRD2DRD3DRD4

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
EP-2183227-B1 1,2,4-TRIAZOLE DERIVATIVES AS SEROTONERGIC MODULATORS PROSARIX LTD (GB) 2014-09-24 EP 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
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

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 KMT2A 2144/4885MEN1 2932/4885ALDH1A1 2185/4885

“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.