SCHEMBL13585129

SCHEMBL13585129

NC(CNC(=O)N1CCN(CCO)CC1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
HSD11B1 P28845 1/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 2/20 0.36
FAAH O00519 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX12 P18054 1/20 0.36
MTOR P42345 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 3/20 0.36

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
SCHEMBL1768597 1.00 HTT (0.48) HTTCA12CA1CA2CA9
SCHEMBL1768790 0.87 HTT (0.47) HTTCA12CA1CA2CA9
SCHEMBL13585586 0.87 HTT (0.47) HTTCA12CA1CA2CA9
SCHEMBL26009584 0.83 HSD17B10 (0.40) KMT2ATSHRPOLBKDM4EGFPT1
SCHEMBL25356712 0.83 HSD17B10 (0.40) KMT2ATSHRPOLBKDM4EGFPT1
SCHEMBL26014178 0.83 DRD2 (0.48) HTTCA12CA1CA2CA9
SCHEMBL25358690 0.83 DRD2 (0.48) HTTCA12CA1CA2CA9
SCHEMBL13585051 0.83 CYP2C19 (0.45) HTTKMT2AALDH1A1KDM4EMEN1
SCHEMBL1768803 0.83 CYP2C19 (0.45) HTTKMT2AALDH1A1KDM4EMEN1
SCHEMBL26008156 0.81 KMT2A (0.40) KMT2ATSHRMAPK1FAAHCYP3A4

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 2 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

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 HTT 3466/4885CA12 1013/4885CA1 1591/4885

“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.