SCHEMBL326286

SCHEMBL326286

CCCCCNC(=O)NCCN

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.75
DPP7 Q9UHL4 1/20 0.55
RRM1 P23921 1/20 0.53
EPHX2 P34913 7/20 0.51
CASP2 P42575 1/20 0.50
GNAI3 P08754 1/20 0.50
GNAO1 P09471 1/20 0.50
GNAI1 P63096 1/20 0.50

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
SCHEMBL11780948 0.98 EPHX1 (0.79) EPHX1DPP7RRM1EPHX2CASP2
SCHEMBL10558436 0.93 EPHX1 (0.68) EPHX1DPP7RRM1EPHX2
SCHEMBL17740004 0.91 EPHX1 (0.75) EPHX1DPP7RRM1EPHX2CASP2
SCHEMBL11780869 0.89 EPHX1 (0.79) EPHX1RRM1GNAI3GNAO1GNAI1
SCHEMBL11779199 0.89 EPHX1 (0.79) EPHX1RRM1GNAI3GNAO1GNAI1
SCHEMBL11780971 0.89 EPHX1 (0.79) EPHX1RRM1GNAI3GNAO1GNAI1
SCHEMBL11778781 0.89 EPHX1 (0.79) EPHX1DPP7RRM1EPHX2CASP2
SCHEMBL21538794 0.89 EPHX1 (0.79) EPHX1RRM1GNAI3GNAO1GNAI1
SCHEMBL11778026 0.89 EPHX1 (0.79) EPHX1RRM1GNAI3GNAO1GNAI1
SCHEMBL11779920 0.89 EPHX1 (0.79) EPHX1DPP7RRM1EPHX2CASP2

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-20130261178-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES MISTRY SHAILESH (GB) 2013-10-03 US disclosed
EP-2590937-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES The University Of Nottingham (GB) 2013-05-15 EP disclosed
WO-2012004549-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES THE UNIVERSITY OF NOTTINGHAM (GB) 2012-01-12 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-20130261178-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES NR3C2, NPR3, ADRB3 EPHX1 634/4885DPP7 2054/4885RRM1 3141/4885

“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.