SCHEMBL6037849

SCHEMBL6037849

N=C(N)NCCCC(N)C(=O)NCCCCC(N)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.53
GNAI3 P08754 1/20 0.50
GNAO1 P09471 1/20 0.50
GNAI1 P63096 1/20 0.50
NOD1 Q9Y239 1/20 0.48
OTC P00480 1/20 0.48
RRM1 P23921 1/20 0.45
DDAH1 O94760 2/20 0.45
GSR P00390 1/20 0.44
NOS3 P29474 3/20 0.43
NOS1 P29475 3/20 0.43
NOS2 P35228 3/20 0.43
ARG1 P05089 3/20 0.41
ARG2 P78540 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
NPY4R P50391 2/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 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
SCHEMBL6037862 1.00 DPP7 (0.53) DPP7GNAI3GNAO1GNAI1NOD1
SCHEMBL1768660 0.94 DPP7 (0.49) DPP7GNAI3GNAO1GNAI1NOD1
SCHEMBL22401386 0.94 DPP7 (0.49) DPP7GNAI3GNAO1GNAI1NOD1
SCHEMBL1769706 0.94 DPP7 (0.49) DPP7GNAI3GNAO1GNAI1NOD1
SCHEMBL1768651 0.94 DPP7 (0.49) DPP7GNAI3GNAO1GNAI1NOD1
Arginine SCHEMBL5152371 0.94 OTC (0.53) OTCDDAH1GSRNOS3NOS1
Arginine SCHEMBL27550632 0.94 OTC (0.53) OTCDDAH1GSRNOS3NOS1
Arginine SCHEMBL8041512 0.92 OTC (0.51) OTCDDAH1GSRNOS3NOS1
Arginine SCHEMBL18301526 0.92 OTC (0.51) OTCDDAH1GSRNOS3NOS1
SCHEMBL23610947 0.92 DPP7 (0.61) DPP7GNAI3GNAO1GNAI1NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060246104-A1 Stable rgd peptidomimetic composition MASSIA STEPHEN P 2006-11-02 US claimed
WO-2004094457-A2 STABLE RGD PEPTIDOMIMETIC COMPOSITION ARIZONA BOARD OF REGENTS, ACTING FOR AND ON BEHALF OF, ARIZONA STATE UNIVERSITY (US) 2004-11-04 WO claimed
US-20060246104-A1 Stable rgd peptidomimetic composition MASSIA STEPHEN P 2006-11-02 US disclosed
US-20060246104-A1 Stable rgd peptidomimetic composition MASSIA STEPHEN P 2006-11-02 US disclosed
WO-2004094457-A3 STABLE RGD PEPTIDOMIMETIC COMPOSITION UNIV ARIZONA (US) 2005-06-02 WO disclosed
WO-2004094457-A2 STABLE RGD PEPTIDOMIMETIC COMPOSITION ARIZONA BOARD OF REGENTS, ACTING FOR AND ON BEHALF OF, ARIZONA STATE UNIVERSITY (US) 2004-11-04 WO disclosed
WO-2004094457-A2 STABLE RGD PEPTIDOMIMETIC COMPOSITION ARIZONA BOARD OF REGENTS, ACTING FOR AND ON BEHALF OF, ARIZONA STATE UNIVERSITY (US) 2004-11-04 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-20060246104-A1 Stable rgd peptidomimetic composition PLAUR, GALR2, GPR119 DPP7 1898/4885GNAI3 155/4885GNAO1 80/4885

“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.