SCHEMBL1768790

SCHEMBL1768790

N[C@@H](CCNC(=O)N1CCN(CCO)CC1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
EPHX2 P34913 1/20 0.40
HSD11B1 P28845 1/20 0.39
ACE P12821 1/20 0.39
TSHR P16473 2/20 0.38
FAAH O00519 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
MTOR P42345 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 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
SCHEMBL13585586 1.00 HTT (0.47) HTTDRD2DRD3CA12CA1
SCHEMBL26014178 0.90 DRD2 (0.48) HTTDRD2DRD3CA12CA1
SCHEMBL25358690 0.90 DRD2 (0.48) HTTDRD2DRD3CA12CA1
SCHEMBL13585129 0.87 HTT (0.48) HTTDRD2DRD3CA12CA1
SCHEMBL1768597 0.87 HTT (0.48) HTTDRD2DRD3CA12CA1
SCHEMBL2235685 0.85 KMT2A (0.42) HTTDRD2DRD3EPHX2ACE
SCHEMBL13585708 0.85 KMT2A (0.42) HTTDRD2DRD3EPHX2ACE
SCHEMBL25357058 0.84 EPHX2 (0.41) DRD2DRD3EPHX2ACETSHR
SCHEMBL25357049 0.84 EPHX2 (0.41) DRD2DRD3EPHX2ACETSHR
SCHEMBL13585062 0.83 EPHX2 (0.56) EPHX2ACEKMT2ABLMPMP22

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754038-B2 Template-fixed peptidomimetics with CCR10 antagonistic activity POLYPHOR AG (CH) 2014-06-17 US disclosed
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2012-11-08 US disclosed
EP-2501715-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY Polyphor Ag (CH) 2012-09-26 EP disclosed
WO-2011060937-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY 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 (1 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 HTT 3466/4885DRD2 4229/4885DRD3 3867/4885

“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.