SCHEMBL2042830

SCHEMBL2042830

CN1CCN(CCCN2Cc3cc(-c4ccc(C=O)s4)ccc3C2=O)CC1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 13/20 0.61
DRD2 P14416 3/20 0.43
DRD3 P35462 3/20 0.43
DRD4 P21917 2/20 0.43
HTR1A P08908 1/20 0.41
DRD5 P21918 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
HTR7 P34969 1/20 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
SCHEMBL2041895 0.93 PRF1 (0.69) PRF1HRH3
SCHEMBL2041244 0.92 PRF1 (0.70) PRF1HRH3
SCHEMBL2016980 0.87 PRF1 (0.68) PRF1
SCHEMBL2016349 0.85 PRF1 (0.68) PRF1
SCHEMBL2019615 0.85 PRF1 (0.67) PRF1
SCHEMBL2015914 0.84 PRF1 (0.53) PRF1HRH3
SCHEMBL2019328 0.84 PRF1 (0.55) PRF1
SCHEMBL12633694 0.83 PRF1 (0.89) PRF1
SCHEMBL2052833 0.83 PRF1 (0.89) PRF1
SCHEMBL2052830 0.83 PRF1 (0.89) 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 1/4885DRD2 3967/4885DRD3 3785/4885

“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.