SCHEMBL1769660

SCHEMBL1769660

CN1CCN(C(=O)CCC(=O)NCC[C@H](N)C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
OTC P00480 1/20 0.38
ACE P12821 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
ATM Q13315 1/20 0.35

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
SCHEMBL13584756 1.00 NOD1 (0.38) NOD1HTTSMN1; SMN2KDM4ETDP1
SCHEMBL13585479 0.86 CYP2C19 (0.41) HTTSMN1; SMN2KDM4ETDP1CYP2C19
SCHEMBL13585478 0.86 CYP2C19 (0.41) HTTSMN1; SMN2KDM4ETDP1CYP2C19
SCHEMBL13584580 0.86 HSD17B10 (0.43) NOD1SMN1; SMN2OTCACEL3MBTL1
SCHEMBL2237581 0.86 HSD17B10 (0.43) NOD1SMN1; SMN2OTCACEL3MBTL1
SCHEMBL1769900 0.85 ITGB3 (0.37) NOD1TDP1OTCTAAR1
SCHEMBL13585349 0.85 TAAR1 (0.51) SMN1; SMN2ALDH1A1POLBTAAR1
SCHEMBL13585347 0.85 TAAR1 (0.51) SMN1; SMN2ALDH1A1POLBTAAR1
SCHEMBL13585807 0.85 ITGB3 (0.37) NOD1TDP1OTCTAAR1
SCHEMBL13585178 0.84 CYP1A2 (0.47) HTTSMN1; SMN2KDM4ETDP1ALDH1A1

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 3 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
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 (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 NOD1 1020/4885HTT 3466/4885SMN1; SMN2 1981/4885

“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.