SCHEMBL1768754

SCHEMBL1768754

CN(CCC1CCCN1C)C(=O)NCC[C@H](N)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.37
ACKR3 P25106 4/20 0.35
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM3 P20309 2/20 0.33
HSD17B10 Q99714 1/20 0.32
EED O75530 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA5 P30532 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
ARG1 P05089 1/20 0.31
ARG2 P78540 1/20 0.31

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
SCHEMBL13585130 0.88 CHRNB2 (0.35) ACKR3ALDH1A1CYP1A2CHRM4CHRM3
SCHEMBL1768551 0.82 CYP1A2 (0.35) ACKR3NOS3NOS1NOS2CYP1A2
SCHEMBL13585047 0.80 ACE (0.35) ACEACKR3ALDH1A1CYP1A2CHRM4
SCHEMBL1768599 0.80 GRIK1 (0.36) ACKR3CYP1A2CHRM3CHRNB2CHRNA5
SCHEMBL25662234 0.79 CYP1A2 (0.45) ACECYP1A2CHRM3CHRNB2CHRNA5
SCHEMBL25660550 0.79 CYP1A2 (0.45) ACECYP1A2CHRM3CHRNB2CHRNA5
SCHEMBL13584651 0.77 PMP22 (0.35) ACEACKR3NOS3NOS1NOS2
SCHEMBL27888818 0.77 PMP22 (0.35) ACEACKR3NOS3NOS1NOS2
SCHEMBL13585045 0.76 ALDH1A1 (0.34) ACEACKR3ALDH1A1CYP1A2CHRM4
SCHEMBL1768373 0.73 NOS2 (0.44) NOS3NOS1NOS2CYP1A2CHRNB2

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 5 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-2011060832-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2011-05-26 WO 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 ACE 536/4885ACKR3 39/4885NOS3 4757/4885

“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.