SCHEMBL2239768

SCHEMBL2239768

NC(CCNc1ncccn1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.41
ARG1 P05089 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
KIF11 P52732 3/20 0.40
GRIN3B O60391 2/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2C Q14957 2/20 0.40
GRM8 O00222 2/20 0.39
GRM4 Q14833 2/20 0.39
LTA4H P09960 1/20 0.39
CYP1A2 P05177 2/20 0.38
GRM6 O15303 1/20 0.38
GRIN2D O15399 1/20 0.38
GSR P00390 1/20 0.38
GRIK1 P39086 1/20 0.38
GRM5 P41594 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
SCHEMBL2235938 1.00 ALDH1A1 (0.50) ALDH1A1HPGDARG1MEN1NPC1
SCHEMBL2235643 0.90 ALDH1A1 (0.47) ALDH1A1HPGDARG1MEN1NPC1
SCHEMBL2235634 0.90 ALDH1A1 (0.47) ALDH1A1HPGDARG1MEN1NPC1
SCHEMBL2238481 0.89 ALDH1A1 (0.46) ALDH1A1HPGDARG1KMT2AGSR
SCHEMBL2238476 0.89 ALDH1A1 (0.46) ALDH1A1HPGDARG1KMT2AGSR
SCHEMBL15208762 0.86 GRIN3B (0.45) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL15208765 0.86 GRIN3B (0.45) ALDH1A1MEN1NPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL31107792 0.84 GRIN3B (0.44) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL2307292 0.84 CYP1A2 (0.41) ALDH1A1ARG1KMT2AKIF11GRIN3B
SCHEMBL2307299 0.84 CYP1A2 (0.41) ALDH1A1ARG1KMT2AKIF11GRIN3B

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 ALDH1A1 1674/4885HPGD 2054/4885ARG1 889/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 ALDH1A1 1610/4885HPGD 2044/4885ARG1 971/4885

“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.