SCHEMBL3030816

SCHEMBL3030816

[S]CCCCc1ncc[nH]1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.56
TERT O14746 1/20 0.52
ALOX15 P16050 1/20 0.42
TAAR1 Q96RJ0 10/20 0.41
FDPS P14324 1/20 0.37
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL7720717 0.94
SCHEMBL3431746 0.89 TBXAS1 (0.66) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL28062565 0.87 TBXAS1 (0.69) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL503743 0.87 TBXAS1 (0.69) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL3362075 0.85
SCHEMBL9777191 0.84 TBXAS1 (0.60) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL9846593 0.81 TBXAS1 (0.58) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL285224 0.79 TERT (0.59) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL3958988 0.79 TBXAS1 (0.61) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL89096 0.79 TBXAS1 (0.56) TBXAS1TERTALOX15TAAR1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745002-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS LLC (US) 2010-11-03 EP disclosed
US-20100210653-A1 Novel Compounds, Their Preparations and Use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-08-19 US disclosed
US-20080114036-A1 Novel Compounds, Their Preparations And Use NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
EP-1745002-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2007-01-24 EP disclosed
WO-2005105725-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2005-11-10 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 (2 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-20100210653-A1 Novel Compounds, Their Preparations and Use PPARG, PPARD, PPARA TBXAS1 381/4885TERT 3298/4885ALOX15 438/4885
US-20080114036-A1 Novel Compounds, Their Preparations And Use PPARG, PPARD, GPR119 TBXAS1 194/4885TERT 3210/4885ALOX15 622/4885

“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.