SCHEMBL2304802

SCHEMBL2304802

N[C@@H](CCCCn1cncn1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.51
ARG1 P05089 4/20 0.44
GSR P00390 1/20 0.44
NOS1 P29475 6/20 0.42
ARG2 P78540 4/20 0.41
NOS2 P35228 4/20 0.41
NOS3 P29474 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
CYP19A1 P11511 1/20 0.40
ALDH1A1 P00352 1/20 0.40
BLM P54132 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
SCHEMBL2304814 1.00 EGLN3 (0.51) EGLN3ARG1GSRNOS1ARG2
SCHEMBL2300214 0.97 EGLN3 (0.54) EGLN3ARG1GSRNOS1ARG2
SCHEMBL2300220 0.97 EGLN3 (0.54) EGLN3ARG1GSRNOS1ARG2
SCHEMBL2302721 0.89 EGLN3 (0.56) EGLN3ARG1GSRNOS1CYP1A2
SCHEMBL15208002 0.89 EGLN3 (0.56) EGLN3ARG1GSRNOS1CYP1A2
SCHEMBL14489820 0.78 EGLN3 (0.50) EGLN3ALDH1A1
SCHEMBL941137 0.78 EGLN3 (0.50) EGLN3ALDH1A1
SCHEMBL503194 0.78 EGLN3 (0.50) EGLN3ALDH1A1
Hydrochloric Acid SCHEMBL25425659 0.77 EGLN3 (0.49) EGLN3ALDH1A1
SCHEMBL17159811 0.75 EGLN3 (0.56) EGLN3TSHRCYP19A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637520-B2 Template-fixed peptidomimetics with CXCR7 modulating activity POLYPHOR AG (CH) 2017-05-02 US disclosed
CN-102844327-B Template-fixed peptidomimetics with CXCR7 modulatory activity 波利弗尔股份公司 2016-10-26 CN disclosed
EP-2531520-B1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2016-05-11 EP disclosed
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2015-10-29 US disclosed
US-9109009-B2 Template-fixed peptidomimetics with CXCR7 modulating activity POLYPHOR AG (CH) 2015-08-18 US disclosed
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2013-08-29 US disclosed
CN-102844327-A Template-fixed peptidomimetics with CXCR7 modulatory activity POLYPHOR AG 2012-12-26 CN disclosed
EP-2531520-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY Polyphor AG (CH) 2012-12-12 EP disclosed
WO-2011095607-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2011-08-11 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 (2 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-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 EGLN3 338/4885ARG1 889/4885GSR 2525/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 EGLN3 282/4885ARG1 971/4885GSR 2635/4885

“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.