SCHEMBL17523596

SCHEMBL17523596

[2H]C1([2H])CCN(c2cccc(C(=O)Nc3ccncc3)n2)CCN1C1CCN([C@@H](C)CC)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.39
HRH3 Q9Y5N1 2/20 0.38
OGA O60502 2/20 0.37
IRAK4 Q9NWZ3 3/20 0.36
JAK2 O60674 1/20 0.35
PTPN11 Q06124 1/20 0.34
ACKR3 P25106 3/20 0.34
KIF18A Q8NI77 2/20 0.34
CHRNA7 P36544 1/20 0.33
CHRNA10 Q9GZZ6 1/20 0.33
CHRNA9 Q9UGM1 1/20 0.33

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
SCHEMBL17523597 1.00 HSD11B1 (0.39) HSD11B1HRH3OGAIRAK4JAK2
SCHEMBL17523589 0.94 IRAK4 (0.38) HSD11B1HRH3OGAIRAK4JAK2
SCHEMBL17523588 0.94 IRAK4 (0.38) HSD11B1HRH3OGAIRAK4JAK2
SCHEMBL30077146 0.93 HSD11B1 (0.41) HSD11B1HRH3OGAIRAK4PTPN11
SCHEMBL30077052 0.93 HSD11B1 (0.41) HSD11B1HRH3OGAIRAK4PTPN11
SCHEMBL23282469 0.93 HSD11B1 (0.41) HSD11B1HRH3OGAIRAK4PTPN11
SCHEMBL15347418 0.93 HSD11B1 (0.41) HSD11B1HRH3OGAIRAK4PTPN11
SCHEMBL15347211 0.93 HSD11B1 (0.41) HSD11B1HRH3OGAIRAK4PTPN11
Usl-311 SCHEMBL17523594 0.92 HRH3 (0.43) HSD11B1HRH3OGAIRAK4JAK2
SCHEMBL17523598 0.88 HSD11B1 (0.39) HSD11B1HRH3OGAIRAK4ACKR3

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-20170226106-A1 CXCR4 Receptor Antagonists PROXIMAGEN, LLC 2017-08-10 US disclosed
US-9353086-B2 CXCR4 receptor antagonists PROXIMAGEN LIMITED (GB) 2016-05-31 US disclosed
US-20160046606-A1 CXCR4 Receptor Antagonists PROXIMAGEN LIMITED (GB) 2016-02-18 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 (2 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-20170226106-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 HSD11B1 1779/4885HRH3 288/4885OGA 4677/4885
US-20160046606-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 HSD11B1 1779/4885HRH3 288/4885OGA 4677/4885

“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.