SCHEMBL5322003

SCHEMBL5322003

NC(CCn1cccn1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.44
FDPS P14324 1/20 0.41
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GRM5 P41594 2/20 0.38
GRM2 Q14416 2/20 0.38
GSR P00390 2/20 0.38
GRM8 O00222 1/20 0.38
GRM6 O15303 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
CYP1A2 P05177 1/20 0.38
GRIK1 P39086 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
GRIA4 P48058 1/20 0.38

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
SCHEMBL15208660 1.00 ARG1 (0.44) ARG1FDPSTSHRALDH1A1GRM5
SCHEMBL15209057 0.90 ARG1 (0.52) ARG1FDPSTSHRALDH1A1GSR
SCHEMBL15209056 0.90 ARG1 (0.52) ARG1FDPSTSHRALDH1A1GSR
SCHEMBL15207392 0.89 ARG1 (0.48) ARG1FDPSTSHRGSRCYP1A2
SCHEMBL15207393 0.89 ARG1 (0.48) ARG1FDPSTSHRGSRCYP1A2
SCHEMBL503649 0.82 FDPS (0.51) ARG1FDPSTSHRALDH1A1GRM2
SCHEMBL4153679 0.82 FDPS (0.51) ARG1FDPSTSHRALDH1A1GRM2
SCHEMBL9462503 0.82 FDPS (0.51) ARG1FDPSTSHRALDH1A1GRM2
Hydrochloric Acid SCHEMBL7471557 0.81 FDPS (0.50) ARG1FDPSTSHRALDH1A1CYP1A2
SCHEMBL27841918 0.81 TSHR (0.44) FDPSTSHRHTTKDM5AKDM2B

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
US-20070258899-A1 Diagnostic and therapeutic agents KARYON-CTT LTD (FI) 2007-11-08 US disclosed
WO-2007113385-A1 DIAGNOSTIC AND THERAPEUTIC AGENTS KARYON-CTT LTD (FI) 2007-10-11 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-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 ARG1 889/4885FDPS 2641/4885TSHR 1019/4885
US-20070258899-A1 Diagnostic and therapeutic agents YBX1, MLX, TPX2 ARG1 989/4885FDPS 3835/4885TSHR 3814/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 ARG1 971/4885FDPS 2592/4885TSHR 1105/4885

“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.