SCHEMBL14634964

SCHEMBL14634964

O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1CCCN1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 4/20 0.48
▸ DPP4 P27487 3/20 0.46
▸ DPP8 Q6V1X1 1/20 0.46
▸ ANPEP P15144 1/20 0.46
▸ POLB P06746 3/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ PREP P48147 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PARP1 P09874 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ CHEK1 O14757 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ HSD11B1 P28845 1/20 0.41

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
SCHEMBL27705633 1.00 ACE (0.48) ACEDPP4DPP8ANPEPPOLB
SCHEMBL14634965 1.00 ACE (0.48) ACEDPP4DPP8ANPEPPOLB
SCHEMBL18031566 0.79 KEAP1 (0.56) ACEPOLBTDP1PREPL3MBTL1
SCHEMBL14194351 0.78 DPP8 (0.56) DPP4DPP8PARP1
SCHEMBL8908771 0.76 ACE (0.61) ACEPOLBTDP1L3MBTL1CHEK1
SCHEMBL4573235 0.76 ACE (0.61) ACEPOLBTDP1L3MBTL1CHEK1
SCHEMBL3840630 0.76 ACE (0.61) ACEPOLBTDP1L3MBTL1CHEK1
SCHEMBL31494183 0.75 KEAP1 (0.62) DPP4DPP8POLBTDP1PARP1
SCHEMBL26255929 0.75 KEAP1 (0.62) DPP4DPP8POLBTDP1PARP1
SCHEMBL11350319 0.74 ACE (0.59) ACEPOLBTDP1PREPL3MBTL1

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
EP-2531204-B1 TEMPLATE - FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2016-02-03 — — EP disclosed
US-8629112-B2 Template-fixed peptidomimetics with CXCR7 modulating activity POLYPHOR AG (CH) 2014-01-14 — — US disclosed
US-20130023483-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2013-01-24 — — US 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-20130023483-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 ACE 1822/4885DPP4 1263/4885DPP8 773/4885

“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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