SCHEMBL2236628

SCHEMBL2236628

CN(CCCC[C@H](N)C(=O)O)c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.53
PPARA Q07869 3/20 0.53
SLC1A5 Q15758 2/20 0.44
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ARG1 P05089 1/20 0.42
NOS1 P29475 3/20 0.40
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 1/20 0.40
GMNN O75496 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
SCHEMBL2236655 0.91 PPARG (0.50) PPARGPPARASLC1A5KMT2APOLB
SCHEMBL2236959 0.85 ARG1 (0.47) SLC1A5KMT2APOLBTDP1ARG1
SCHEMBL15208594 0.82 PPARG (0.46) PPARGPPARASLC1A5KMT2APOLB
SCHEMBL2237999 0.80 NOS2 (0.50) SLC1A5KMT2APOLBTDP1ARG1
SCHEMBL996075 0.76 SLC1A5 (0.60) SLC1A5KMT2APOLBTDP1HDAC3
SCHEMBL12977607 0.76 SLC1A5 (0.60) SLC1A5KMT2APOLBTDP1HDAC3
SCHEMBL23099392 0.76 NOS2 (0.51) PPARGKMT2APOLBTDP1NOS1
SCHEMBL10652720 0.75 HRH3 (0.51) PPARGPPARAKMT2ACYP2D6CYP2C19
SCHEMBL7922668 0.75 PPARG (0.62) PPARGPPARAKMT2ATDP1CYP2D6
SCHEMBL19642981 0.74 PPARG (0.49) PPARGPPARAKMT2APOLBHDAC3

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 PPARG 1155/4885PPARA 1847/4885SLC1A5 437/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 PPARG 1297/4885PPARA 2041/4885SLC1A5 391/4885

“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.