SCHEMBL4458387

SCHEMBL4458387

[NH]C(=O)NC1CCNCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.67
POLB P06746 1/20 0.59
EPHX2 P34913 1/20 0.46
GNAI3 P08754 1/20 0.44
GNAO1 P09471 1/20 0.44
GNAI1 P63096 1/20 0.44
GABRA1 P14867 2/20 0.41
TSHR P16473 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRA6 Q16445 2/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41

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
SCHEMBL2781236 0.86
SCHEMBL968900 0.82
SCHEMBL5142091 0.80 EPHX1 (1.00) EPHX1POLBEPHX2GNAI3GNAO1
SCHEMBL379250 0.78 EPHX1 (0.70) EPHX1POLBEPHX2GNAI3GNAO1
SCHEMBL22962168 0.78 EPHX1 (0.70) EPHX1POLBEPHX2GNAI3GNAO1
SCHEMBL28171895 0.78 EPHX1 (0.95) EPHX1POLBEPHX2GNAI3GNAO1
SCHEMBL967136 0.77
SCHEMBL966686 0.77
SCHEMBL13324858 0.76 EPHX1 (0.67) EPHX1POLBEPHX2GNAI3GNAO1
SCHEMBL7012 0.76 EPHX1 (0.67) EPHX1POLBEPHX2GNAI3GNAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632832-B2 CGRP receptor antagonists MERCK & CO., INC. (US) 2009-12-15 US disclosed
US-20080125413-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-05-29 US 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-20080125413-A1 Cgrp Receptor Antagonists CALCRL, NPY1R, CCKBR EPHX1 1540/4885POLB 3904/4885EPHX2 2396/4885

“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.