SCHEMBL1768689

SCHEMBL1768689

N[C@@H](CCNC(=O)NCCN1CCCC1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
POLB P06746 2/20 0.49
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
RAB9A P51151 1/20 0.44
CNR1 P21554 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.42
ACE P12821 1/20 0.41
DPP7 Q9UHL4 1/20 0.40

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
SCHEMBL13585514 1.00 MEN1 (0.49) MEN1KMT2APOLBCA12CA1
SCHEMBL13584992 0.89 MEN1 (0.48) MEN1KMT2APOLBCA12CA1
SCHEMBL13584994 0.89 MEN1 (0.48) MEN1KMT2APOLBCA12CA1
SCHEMBL1768474 0.88 TSHR (0.52) KMT2ACA12CA1CA2CA9
SCHEMBL1768478 0.88 TSHR (0.52) KMT2ACA12CA1CA2CA9
SCHEMBL13584975 0.83 MAPT (0.47) MEN1KMT2APOLBCA12CA1
SCHEMBL1768498 0.83 MAPT (0.47) MEN1KMT2APOLBCA12CA1
SCHEMBL5607982 0.81 MAPT (0.49) MEN1KMT2APOLBCA12CA1
SCHEMBL5079176 0.81 MAPT (0.49) MEN1KMT2APOLBCA12CA1
SCHEMBL1768711 0.81 MAPT (0.56) MEN1KMT2APOLBALDH1A1DPP7

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
EP-2501715-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY Polyphor Ag (CH) 2012-09-26 EP 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 MEN1 3852/4885KMT2A 3431/4885POLB 782/4885

“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.