SCHEMBL2237084

SCHEMBL2237084

NC(CCCNc1ccccn1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.48
ITGB3 P05106 10/20 0.48
ITGAV P06756 10/20 0.48
ITGB1 P05556 3/20 0.47
ITGB5 P18084 2/20 0.47
ITGB6 P18564 2/20 0.47
PRMT1 Q99873 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP1A2 P05177 1/20 0.45
ITGA5 P08648 1/20 0.45
ITGA2B P08514 1/20 0.45
FDPS P14324 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL2237077 1.00 ANPEP (0.48) ANPEPITGB3ITGAVITGB1ITGB5
SCHEMBL2235485 0.96 ANPEP (0.53) ANPEPITGB3ITGAVITGB1ITGB5
SCHEMBL2235478 0.96 ANPEP (0.53) ANPEPITGB3ITGAVITGB1ITGB5
SCHEMBL2240414 0.91 CYP2D6 (0.48) ANPEPITGB3ITGAVITGB1ITGB5
SCHEMBL2240407 0.91 CYP2D6 (0.48) ANPEPITGB3ITGAVITGB1ITGB5
SCHEMBL5524164 0.87 ITGB3 (0.51) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL15208481 0.82 CYP2D6 (0.58) ITGB3ITGAVCYP2D6CYP1A2FDPS
SCHEMBL2235634 0.82 ALDH1A1 (0.47)
SCHEMBL17234281 0.82 CYP2D6 (0.58) ITGB3ITGAVCYP2D6CYP1A2FDPS
SCHEMBL15208486 0.82 CYP2D6 (0.58) ITGB3ITGAVCYP2D6CYP1A2FDPS

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
US-9458198-B1 Cyclic peptide-based NPR-B agonists SHIRE ORPHAN THERAPIES GMBH (DE) 2016-10-04 US 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
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
WO-2011095218-A1 TEMPLATE-FIXED PEP TIDOMIME TICS 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 ANPEP 226/4885ITGB3 2339/4885ITGAV 1276/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 ANPEP 196/4885ITGB3 2108/4885ITGAV 1164/4885

“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.