SCHEMBL2240407

SCHEMBL2240407

N[C@@H](CCNc1ccccn1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.48
CYP1A2 P05177 1/20 0.47
FDPS P14324 1/20 0.47
CYP2C19 P33261 1/20 0.46
FABP1 P07148 1/20 0.46
FABP6 P51161 1/20 0.46
GAA P10253 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
PKM P14618 2/20 0.45
ANPEP P15144 1/20 0.45
ITGB3 P05106 4/20 0.44
ITGAV P06756 4/20 0.44
ITGB1 P05556 1/20 0.44
ITGB5 P18084 1/20 0.44
ITGB6 P18564 1/20 0.44
CXCR4 P61073 1/20 0.44
PRMT1 Q99873 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL2240414 1.00 CYP2D6 (0.48) CYP2D6CYP1A2FDPSCYP2C19FABP1
SCHEMBL2237077 0.91 ANPEP (0.48) CYP2D6CYP1A2FDPSCYP2C19ANPEP
SCHEMBL2237084 0.91 ANPEP (0.48) CYP2D6CYP1A2FDPSCYP2C19ANPEP
SCHEMBL2235485 0.90 ANPEP (0.53) CYP2D6ANPEPITGB3ITGAVITGB1
SCHEMBL2235478 0.90 ANPEP (0.53) CYP2D6ANPEPITGB3ITGAVITGB1
SCHEMBL15208481 0.88 CYP2D6 (0.58) CYP2D6CYP1A2FDPSFABP1FABP6
SCHEMBL17234281 0.88 CYP2D6 (0.58) CYP2D6CYP1A2FDPSFABP1FABP6
SCHEMBL30919995 0.88 CYP2D6 (0.58) CYP2D6CYP1A2FDPSFABP1FABP6
SCHEMBL30919988 0.88 CYP2D6 (0.58) CYP2D6CYP1A2FDPSFABP1FABP6
SCHEMBL15208486 0.88 CYP2D6 (0.58) CYP2D6CYP1A2FDPSFABP1FABP6

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-9637520-B2 Template-fixed peptidomimetics with CXCR7 modulating activity POLYPHOR AG (CH) 2017-05-02 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

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 CYP2D6 4602/4885CYP1A2 4787/4885FDPS 2641/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 CYP2D6 4575/4885CYP1A2 4746/4885FDPS 2592/4885

“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.