SCHEMBL3045773

SCHEMBL3045773

CCOC(=O)CC(C)N1CCN(c2ccccc2OC)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.65
POLB P06746 1/20 0.54
HPGD P15428 1/20 0.54
LMNA P02545 2/20 0.53
ALDH1A1 P00352 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
HTR1A P08908 1/20 0.51
HTR7 P34969 1/20 0.51
HTR6 P50406 1/20 0.51
DRD2 P14416 3/20 0.50
ADRA1B P35368 1/20 0.50
TSHR P16473 1/20 0.50
DRD3 P35462 3/20 0.49
KDM4E B2RXH2 1/20 0.49
GLA P06280 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ADRA1A P35348 1/20 0.49
GAA P10253 1/20 0.48

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
SCHEMBL25409013 0.85 PKM (0.64) PKMPOLBHPGDLMNAALDH1A1
SCHEMBL11166353 0.82 RAD52 (0.58) LMNAALDH1A1TSHRKDM4EMAPT
SCHEMBL25408131 0.81 PKM (0.65) PKMPOLBHPGDALDH1A1HTR1A
SCHEMBL3068737 0.81 DRD3 (0.54) PKMPOLBLMNAALDH1A1HTR1A
Hydrochloric Acid SCHEMBL11079318 0.80 DRD2 (0.58) PKMALDH1A1HTR1AHTR7DRD2
SCHEMBL13648743 0.80 POLB (0.65) PKMPOLBLMNAALDH1A1HTR1A
SCHEMBL11081882 0.80 PKM (0.60) PKMHPGDLMNAALDH1A1HTR1A
Hydrochloric Acid SCHEMBL11088272 0.80 DRD3 (0.59) ALDH1A1HTR1AHTR7DRD2DRD3
SCHEMBL3252759 0.79 PKM (0.78) PKMHPGDLMNAALDH1A1TSHR
SCHEMBL3068873 0.79 HTR1A (0.68) PKMALDH1A1HTR1ADRD2DRD3

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 11 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
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
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 PKM 1377/4885POLB 4561/4885HPGD 1445/4885

“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.