SCHEMBL12469030

SCHEMBL12469030

O=C(O)NC1CCN(c2cccc(C(=O)NCC3CC3)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.56
CKS1B P61024 2/20 0.47
SKP1 P63208 2/20 0.47
SKP2 Q13309 2/20 0.47
NAPEPLD Q6IQ20 9/20 0.46
USP30 Q70CQ3 2/20 0.46

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
SCHEMBL12469013 0.85 PRKCQ (0.53) HSD11B1CKS1BSKP1SKP2NAPEPLD
SCHEMBL17146250 0.84 HSD11B1 (0.48) HSD11B1CKS1BSKP1SKP2NAPEPLD
SCHEMBL12685336 0.84 CKS1B (0.55) HSD11B1CKS1BSKP1SKP2
SCHEMBL12685120 0.80 NAPEPLD (0.49) HSD11B1CKS1BSKP1SKP2NAPEPLD
SCHEMBL30076917 0.80 NAPEPLD (0.49) HSD11B1CKS1BSKP1SKP2NAPEPLD
SCHEMBL12468854 0.79 NAPEPLD (0.49) HSD11B1CKS1BSKP1SKP2NAPEPLD
SCHEMBL30076931 0.79 NAPEPLD (0.52) HSD11B1NAPEPLD
SCHEMBL15347514 0.79 HSD11B1 (0.55) HSD11B1CKS1BSKP1SKP2USP30
SCHEMBL15347556 0.79 NAPEPLD (0.52) HSD11B1NAPEPLD
SCHEMBL12468900 0.77 HSD11B1 (0.53) HSD11B1CKS1BSKP1SKP2USP30

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10995091-B2 CXCR4 receptor antagonists PROXIMAGEN LLC (US) 2021-05-04 US disclosed
US-10155761-B2 CXCR4 receptor antagonists PROXIMAGEN, LLC (US) 2018-12-18 US disclosed
EP-2927224-B1 Receptor antagonists PROXIMAGEN LTD (GB) 2018-10-03 EP disclosed
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
EP-2927224-A1 Receptor antagonists Proximagen Limited (GB) 2015-10-07 EP disclosed
EP-2627649-B1 CXCR4 RECEPTOR ANTAGONISTS PROXIMAGEN LTD (GB) 2015-04-08 EP disclosed
US-20130289020-A1 CXCR4 Receptor Antagonists PROXIMAGEN LIMITED (GB) 2013-10-31 US disclosed
EP-2627649-A1 CXCR4 RECEPTOR ANTAGONISTS Proximagen Limited (GB) 2013-08-21 EP disclosed
WO-2012049277-A1 CXCR4 RECEPTOR ANTAGONISTS PROXIMAGEN LTD (GB) 2012-04-19 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 (5 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 1779/4885CKS1B 1257/4885SKP1 3512/4885
US-20130289020-A1 CXCR4 Receptor Antagonists CXCR4, ACKR3, CXCR1 HSD11B1 3351/4885CKS1B 1348/4885SKP1 4231/4885
US-10155761-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 HSD11B1 1779/4885CKS1B 1257/4885SKP1 3512/4885
US-20160046606-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 HSD11B1 1779/4885CKS1B 1257/4885SKP1 3512/4885
US-10995091-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 HSD11B1 1779/4885CKS1B 1257/4885SKP1 3512/4885

“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.