SCHEMBL12685237

SCHEMBL12685237

O=C(NCC1CC1)c1cccc(N2CCNCC(O)C2)n1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAPEPLD Q6IQ20 11/20 0.48
HSD11B1 P28845 2/20 0.44
PIM1 P11309 5/20 0.42
PIM3 Q86V86 5/20 0.42
PIM2 Q9P1W9 5/20 0.42
ACACB O00763 1/20 0.41
ACACA Q13085 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
SCHEMBL30077109 1.00 NAPEPLD (0.48) NAPEPLDHSD11B1PIM1PIM3PIM2
SCHEMBL15347556 0.84 NAPEPLD (0.52) NAPEPLDHSD11B1ACACBACACA
SCHEMBL30076931 0.84 NAPEPLD (0.52) NAPEPLDHSD11B1ACACBACACA
SCHEMBL17523565 0.81 NAPEPLD (0.48) NAPEPLDHSD11B1PIM1ACACBACACA
SCHEMBL12685120 0.79 NAPEPLD (0.49) NAPEPLDHSD11B1
SCHEMBL30076917 0.79 NAPEPLD (0.49) NAPEPLDHSD11B1
SCHEMBL12469825 0.77 HSD11B1 (0.44) NAPEPLDHSD11B1
SCHEMBL12469013 0.77 PRKCQ (0.53) NAPEPLDHSD11B1
SCHEMBL12685192 0.76 NAPEPLD (0.51) NAPEPLDPIM1ACACBACACA
SCHEMBL15347411 0.75 HTR4 (0.43) NAPEPLDHSD11B1

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 16 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-10995091-B2 CXCR4 receptor antagonists PROXIMAGEN LLC (US) 2021-05-04 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-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-9353086-B2 CXCR4 receptor antagonists PROXIMAGEN LIMITED (GB) 2016-05-31 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
US-20160046606-A1 CXCR4 Receptor Antagonists PROXIMAGEN LIMITED (GB) 2016-02-18 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
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
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 (4 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 NAPEPLD 2860/4885HSD11B1 1779/4885PIM1 2753/4885
US-20130289020-A1 CXCR4 Receptor Antagonists CXCR4, ACKR3, CXCR1 NAPEPLD 2243/4885HSD11B1 3351/4885PIM1 2351/4885
US-20160046606-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 NAPEPLD 2860/4885HSD11B1 1779/4885PIM1 2753/4885
US-10995091-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 NAPEPLD 2860/4885HSD11B1 1779/4885PIM1 2753/4885

“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.