SCHEMBL1769501

SCHEMBL1769501

CN1CCCC1CCN(C)S(=O)(=O)C[C@H](N)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.33
CHRNA5 P30532 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
ACKR3 P25106 5/20 0.33
CYP1A2 P05177 1/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32
CHRM3 P20309 3/20 0.32
HTR6 P50406 2/20 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
SCHEMBL27888847 1.00 CHRNB2 (0.33) CHRNB2CHRNA5CHRNA7CHRNA4ACKR3
SCHEMBL13584651 0.89 PMP22 (0.35) CHRNB2CHRNA5CHRNA7CHRNA4ACKR3
SCHEMBL27888818 0.89 PMP22 (0.35) CHRNB2CHRNA5CHRNA7CHRNA4ACKR3
SCHEMBL27872429 0.82 CHRNB2 (0.34) CHRNB2CHRNA5CHRNA7CHRNA4ACKR3
SCHEMBL13585047 0.81 ACE (0.35) CHRNB2CHRNA5CHRNA7CHRNA4ACKR3
SCHEMBL1768599 0.78 GRIK1 (0.36) CHRNB2CHRNA5CHRNA7CHRNA4ACKR3
SCHEMBL13585045 0.76 ALDH1A1 (0.34) ACKR3CYP1A2CHRM3
SCHEMBL25660550 0.76 CYP1A2 (0.45) CHRNB2CHRNA5CHRNA7CHRNA4CYP1A2
SCHEMBL25662234 0.76 CYP1A2 (0.45) CHRNB2CHRNA5CHRNA7CHRNA4CYP1A2
SCHEMBL1768551 0.76 CYP1A2 (0.35) CHRNB2CHRNA5CHRNA7CHRNA4ACKR3

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
CN-102712676-A Template-fixed peptidomimetics with CCR10 antagonistic activty POLYPHOR AG 2012-10-03 CN 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 CHRNB2 2443/4885CHRNA5 1953/4885CHRNA7 1823/4885

“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.