SCHEMBL2235685

SCHEMBL2235685

CN1CCN(C(=O)NCC[C@H](N)C(=O)O)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
EPHX2 P34913 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 5/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP2C19 P33261 1/20 0.40
ACE P12821 1/20 0.40
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
ATM Q13315 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
TPSAB1 Q15661 1/20 0.38
NAMPT P43490 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
FAAH O00519 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL13585708 1.00 KMT2A (0.42) KMT2AMEN1EPHX2HTTKDM4E
SCHEMBL13585799 0.94 EPHX2 (0.45) KMT2AMEN1EPHX2HTTKDM4E
SCHEMBL13585795 0.94 EPHX2 (0.45) KMT2AMEN1EPHX2HTTKDM4E
SCHEMBL25360385 0.90 DRD2 (0.44) KMT2AMEN1HTTKDM4ETDP1
SCHEMBL26009122 0.90 DRD2 (0.44) KMT2AMEN1HTTKDM4ETDP1
SCHEMBL13585114 0.88 EPHX2 (0.42) KMT2AMEN1EPHX2TDP1ACE
SCHEMBL13585115 0.88 EPHX2 (0.42) KMT2AMEN1EPHX2TDP1ACE
SCHEMBL13585438 0.85 EPHX2 (0.53) KMT2AEPHX2ACEALDH1A1TPSAB1
SCHEMBL13585441 0.85 EPHX2 (0.53) KMT2AEPHX2ACEALDH1A1TPSAB1
SCHEMBL13585062 0.85 EPHX2 (0.56) KMT2AEPHX2ACEALDH1A1TPSAB1

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
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-8754038-B2 Template-fixed peptidomimetics with CCR10 antagonistic activity POLYPHOR AG (CH) 2014-06-17 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
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2012-11-08 US 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 (3 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-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY CCR10, CCR1, CCRL2 KMT2A 3431/4885MEN1 3852/4885EPHX2 1468/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 KMT2A 4208/4885MEN1 3558/4885EPHX2 2685/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 KMT2A 4121/4885MEN1 3757/4885EPHX2 2738/4885

“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.