SCHEMBL1768813

SCHEMBL1768813

NC(CCNC(=O)N1CCCOCC1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.48
EPHX2 P34913 1/20 0.45
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 1/20 0.39
NFKB1 P19838 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NR1I2 O75469 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
PTGS2 P35354 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL1768811 1.00 HTT (0.48) HTTEPHX2PRMT5WDR77SMN1; SMN2
SCHEMBL1769490 0.94 HTT (0.53) HTTEPHX2SMN1; SMN2MEN1KMT2A
SCHEMBL1769493 0.94 HTT (0.53) HTTEPHX2SMN1; SMN2MEN1KMT2A
SCHEMBL13585063 0.87 EPHX2 (0.56) EPHX2KMT2ALMNAALDH1A1
SCHEMBL13585441 0.87 EPHX2 (0.53) EPHX2KMT2ALMNAALDH1A1
SCHEMBL13585438 0.87 EPHX2 (0.53) EPHX2KMT2ALMNAALDH1A1
SCHEMBL13585062 0.87 EPHX2 (0.56) EPHX2KMT2ALMNAALDH1A1
SCHEMBL13584947 0.86 HTT (0.49) HTTPRMT5WDR77SMN1; SMN2MEN1
SCHEMBL13584944 0.86 HTT (0.49) HTTPRMT5WDR77SMN1; SMN2MEN1
SCHEMBL13584659 0.85 EPHX2 (0.55) EPHX2KMT2ALMNAALDH1A1

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 3466/4885EPHX2 1468/4885PRMT5 3245/4885

“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.