SCHEMBL2239985

SCHEMBL2239985

N[C@@H](CCCNC(=O)c1ccncc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP2C9 P11712 1/20 0.58
EPHX2 P34913 2/20 0.57
NAAA Q02083 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
TSHR P16473 1/20 0.55
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 1/20 0.52
NPC1 O15118 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
OTC P00480 1/20 0.49
KDM4E B2RXH2 2/20 0.49
MPO P05164 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2A6 P11509 1/20 0.49
GRM8 O00222 1/20 0.47
GRM4 Q14833 1/20 0.47

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
SCHEMBL2239991 1.00 CYP1A2 (0.58) CYP1A2CYP2C19CYP2C9EPHX2NAAA
SCHEMBL31268356 0.96 CYP1A2 (0.61) CYP1A2CYP2C19CYP2C9EPHX2NAAA
SCHEMBL1769567 0.91 EPHX2 (0.64) CYP1A2CYP2C19CYP2C9EPHX2NAAA
SCHEMBL1769566 0.91 EPHX2 (0.64) CYP1A2CYP2C19CYP2C9EPHX2NAAA
SCHEMBL2237833 0.86 EPHX2 (0.57) EPHX2NAAARAB9AALDH1A1NPC1
SCHEMBL2237828 0.86 EPHX2 (0.57) EPHX2NAAARAB9AALDH1A1NPC1
SCHEMBL2238928 0.83 EPHX2 (0.70) CYP1A2CYP2C19CYP2C9EPHX2RAB9A
SCHEMBL2238920 0.83 EPHX2 (0.70) CYP1A2CYP2C19CYP2C9EPHX2RAB9A
SCHEMBL24130547 0.82 HDAC1 (0.58) EPHX2NAAARAB9AALDH1A1NPC1
SCHEMBL1242961 0.82 HDAC1 (0.58) EPHX2NAAARAB9AALDH1A1NPC1

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 CYP1A2 4787/4885CYP2C19 4091/4885CYP2C9 4406/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 CYP1A2 4746/4885CYP2C19 4007/4885CYP2C9 4329/4885

“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.