SCHEMBL12649496

SCHEMBL12649496

N#Cc1ccc(CO[C@@H]2C[C@@H](C(=O)O)N(C(=O)OCC3c4ccccc4-c4ccccc43)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AGTR2 P50052 9/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ FABP7 O15540 2/20 0.37
▸ FABP5 Q01469 2/20 0.37
▸ CTSL P07711 1/20 0.37
▸ CTSB P07858 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ NAAA Q02083 2/20 0.36
▸ GAA P10253 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ TACR1 P25103 1/20 0.35
▸ MRGPRX1 Q96LB2 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
SCHEMBL21553619 0.91 AGTR2 (0.48) AGTR2KMT2AFABP7FABP5
SCHEMBL21874030 0.91 AGTR2 (0.48) AGTR2KMT2AFABP7FABP5
SCHEMBL16095440 0.91 AGTR2 (0.48) AGTR2KMT2AFABP7FABP5
SCHEMBL5963754 0.91 AGTR2 (0.48) AGTR2KMT2AFABP7FABP5
SCHEMBL31210291 0.91 AGTR2 (0.48) AGTR2KMT2AFABP7FABP5
SCHEMBL8166482 0.89 AGTR2 (0.42) AGTR2L3MBTL1KMT2AFABP7FABP5
SCHEMBL16277190 0.86 FFAR2 (0.45) AGTR2L3MBTL1
SCHEMBL29400879 0.83 AGTR2 (0.43) AGTR2KMT2AFABP7FABP5
SCHEMBL29540218 0.82 AGTR2 (0.42) AGTR2KMT2AFABP7FABP5
SCHEMBL15083500 0.82 AGTR2 (0.42) AGTR2KMT2AFABP7FABP5

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 AGTR2 235/4885L3MBTL1 609/4885KMT2A 3431/4885

“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.

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