SCHEMBL1769382

SCHEMBL1769382

N[C@@H](CCC(=O)N1CCc2ccccc21)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.68
NOTUM Q6P988 6/20 0.66
MAPT P10636 6/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
NPC1 O15118 5/20 0.60
RAB9A P51151 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
NFKB1 P19838 2/20 0.60
NFKB2 Q00653 2/20 0.60
RELA Q04206 2/20 0.60
TP53 P04637 1/20 0.60
MAPK1 P28482 1/20 0.60
ALDH1A1 P00352 2/20 0.58
POLB P06746 1/20 0.58
HSD17B10 Q99714 1/20 0.57
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55

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
SCHEMBL6563057 1.00 TSHR (0.68) TSHRNOTUMMAPTMEN1KMT2A
SCHEMBL23834301 0.91 ALDH1A1 (0.58) TSHRNOTUMMAPTMEN1KMT2A
SCHEMBL23834299 0.91 ALDH1A1 (0.58) TSHRNOTUMMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL23834178 0.90 ALDH1A1 (0.57) TSHRNOTUMMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL23834180 0.90 ALDH1A1 (0.57) TSHRNOTUMMAPTMEN1KMT2A
SCHEMBL2237806 0.86 TSHR (0.63) TSHRNOTUMMAPTMEN1KMT2A
SCHEMBL13585583 0.86 TSHR (0.63) TSHRNOTUMMAPTMEN1KMT2A
SCHEMBL23833982 0.84 ALDH1A1 (0.49) TSHRNOTUMMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL23833985 0.83 ALDH1A1 (0.48) TSHRNOTUMMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL23834039 0.83 ALDH1A1 (0.48) TSHRNOTUMMAPTMEN1KMT2A

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 13 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-8754038-B2 Template-fixed peptidomimetics with CCR10 antagonistic activity POLYPHOR AG (CH) 2014-06-17 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
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2012-11-08 US disclosed
CN-102712676-A Template-fixed peptidomimetics with CCR10 antagonistic activty POLYPHOR AG 2012-10-03 CN disclosed
WO-2011095607-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2011-08-11 WO disclosed
WO-2011095218-A1 TEMPLATE-FIXED PEP TIDOMIME TICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2011-08-11 WO disclosed
WO-2011060832-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2011-05-26 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-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY CCR10, CCR1, CCRL2 TSHR 963/4885NOTUM 4581/4885MAPT 3273/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 TSHR 1019/4885NOTUM 4677/4885MAPT 4808/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 TSHR 1105/4885NOTUM 4688/4885MAPT 4798/4885

“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.