SCHEMBL2048849

SCHEMBL2048849

O=C1c2ccc(-c3ccc(C4OCCO4)s3)cc2CN1CCN1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 10/20 0.51
GRM5 P41594 1/20 0.41
MAPK1 P28482 1/20 0.40
HRH3 Q9Y5N1 8/20 0.40

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
SCHEMBL2039157 0.88 PRF1 (0.54) PRF1GRM5
SCHEMBL2018366 0.86 PRF1 (0.55) PRF1GRM5
SCHEMBL2045728 0.85 PRF1 (0.52) PRF1GRM5
SCHEMBL15571470 0.84 PRF1 (0.53) PRF1GRM5HRH3
SCHEMBL2015914 0.83 PRF1 (0.53) PRF1GRM5HRH3
SCHEMBL2044948 0.82 PRF1 (0.50) PRF1
SCHEMBL15572021 0.79 DRD2 (0.49) PRF1GRM5HRH3
SCHEMBL15570767 0.79 PRF1 (0.63) PRF1
SCHEMBL14761067 0.76 PRF1 (0.53) PRF1GRM5
SCHEMBL14761164 0.75 PRF1 (0.79) PRF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130065897-A1 COMPOUNDS, PREPARATION AND USES THEREOF PETER MACCALLUM CANCER INSTITUTE (AU) 2013-03-14 US disclosed
EP-2515903-A1 COMPOUNDS, PREPARATIONS AND USES THEREOF Peter MacCallum Cancer Institute (AU) 2012-10-31 EP disclosed
WO-2011075784-A1 COMPOUNDS, PREPARATIONS AND USES THEREOF PETER MACCALLUM CANCER INSTITUTE (AU) 2011-06-30 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-20130065897-A1 COMPOUNDS, PREPARATION AND USES THEREOF PRF1, GZMB, SERPINB1 PRF1 1/4885GRM5 3533/4885MAPK1 3196/4885

“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.