SCHEMBL2240987

SCHEMBL2240987

NC(CCCCNC1CC1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.50
METAP1 P53582 1/20 0.49
ARG2 P78540 4/20 0.46
ARG1 P05089 3/20 0.46
NOS2 P35228 6/20 0.45
NOS1 P29475 4/20 0.45
NOS3 P29474 3/20 0.45
CYP1A2 P05177 2/20 0.45
TSHR P16473 2/20 0.45
CYP3A4 P08684 1/20 0.45
BLM P54132 1/20 0.44
DDAH1 O94760 1/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
OTC P00480 1/20 0.41
GLA P06280 1/20 0.41
NFKB1 P19838 1/20 0.41
APEX1 P27695 1/20 0.41

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
SCHEMBL2240984 1.00 GSR (0.50) GSRMETAP1ARG2ARG1NOS2
SCHEMBL2235591 0.95 METAP1 (0.50) GSRMETAP1ARG2ARG1NOS2
SCHEMBL2235588 0.95 METAP1 (0.50) GSRMETAP1ARG2ARG1NOS2
SCHEMBL2263297 0.92 GSR (0.46) GSRMETAP1ARG2ARG1DDAH1
SCHEMBL2263302 0.92 GSR (0.46) GSRMETAP1ARG2ARG1DDAH1
SCHEMBL2235419 0.87 METAP1 (0.45) GSRMETAP1ARG2ARG1NOS2
SCHEMBL2235415 0.87 METAP1 (0.45) GSRMETAP1ARG2ARG1NOS2
SCHEMBL2092242 0.79 OTC (0.40) GSRMETAP1ARG2ARG1NOS2
SCHEMBL29485083 0.77 GSR (0.61) GSRARG2ARG1NOS2NOS1
SCHEMBL16615729 0.76 GSR (0.47) GSRARG2ARG1DDAH1OTC

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
CN-102844327-B Template-fixed peptidomimetics with CXCR7 modulatory activity 波利弗尔股份公司 2016-10-26 CN 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
CN-102844327-A Template-fixed peptidomimetics with CXCR7 modulatory activity POLYPHOR AG 2012-12-26 CN 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 GSR 2525/4885METAP1 1996/4885ARG2 955/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 GSR 2635/4885METAP1 2007/4885ARG2 1095/4885

“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.