SCHEMBL2632339

SCHEMBL2632339

CC(C)(C)CCCNC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 10/20 0.44
CXCL12 P48061 1/20 0.44
RAD52 P43351 1/20 0.42
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GNAI3 P08754 2/20 0.39
GNAO1 P09471 2/20 0.39
GNAI1 P63096 2/20 0.39
HRH4 Q9H3N8 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL19669278 0.98 KDM4E (0.42) CXCR4CXCL12RAD52KDM4EALDH1A1
SCHEMBL13602652 0.94 CXCR4 (0.43) CXCR4CXCL12RAD52KDM4EALDH1A1
SCHEMBL12391785 0.89 GNAI3 (0.42) CXCR4CXCL12KDM4EALDH1A1MEN1
SCHEMBL3645463 0.87 RAD52 (0.44) CXCR4CXCL12RAD52KDM4EALDH1A1
SCHEMBL13912964 0.85 RAD52 (0.41) CXCR4CXCL12RAD52KDM4EALDH1A1
SCHEMBL26748291 0.82 GNAI3 (0.59) RAD52KDM4EGNAI3GNAO1GNAI1
SCHEMBL19669160 0.82 OPRL1 (0.40) GNAI3GNAO1GNAI1
SCHEMBL12156771 0.80 RAD52 (0.37) CXCR4CXCL12RAD52KDM4EALDH1A1
SCHEMBL9417435 0.79 CXCR4 (0.61) CXCR4CXCL12RAD52KDM4EALDH1A1
SCHEMBL17733777 0.79 CXCR4 (0.61) CXCR4CXCL12RAD52KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4107198-A1 POLYISOCYANATE PREPARATIONS Covestro Deutschland AG (DE) 2022-12-28 EP disclosed
US-8309552-B2 Immunomodulating heterocyclic compounds MEDIGENE AG (DE) 2012-11-13 US disclosed
US-8163757-B2 Immuno inhibitory pyrazolone compounds MEDIGENE AG (DE) 2012-04-24 US disclosed
EP-2284172-A1 Immunomodulating heterocyclic compounds MediGene Ltd. (GB) 2011-02-16 EP disclosed
US-20100331342-A1 Immuno Inhibitory Pyrazolone Compounds MEDIGENE LIMITED (GB) 2010-12-30 US disclosed
US-7816361-B2 Immuno inhibitory pyrazolone compounds MEDIGENE LIMITED (GB) 2010-10-19 US disclosed
US-20090312334-A1 Immunomodulating Heterocyclic Compounds MEDIGENE LIMITED (GB) 2009-12-17 US disclosed
US-7598247-B2 Immunomodulating heterocyclic compounds MEDIGENE LIMITED (GB) 2009-10-06 US disclosed
US-7417053-B2 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED (JP) 2008-08-26 US disclosed
US-7417053-B2 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED (JP) 2008-08-26 US disclosed
US-20080045527-A1 Immunomodulating Heterocyclic Compounds MEDIGENE LIMITED (GB) 2008-02-21 US disclosed
US-7276505-B2 Immunomodulating heterocyclic compounds MEDIGENE LIMITED (GB) 2007-10-02 US disclosed
US-20070213345-A1 Immuno Inhibitory Pyrazolone Compounds AVIDEX LIMITED (GB) 2007-09-13 US disclosed
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-03-29 US disclosed
US-20070021428-A1 Immunomodulating heterocyclic compounds AVIDEX LIMITED (GB) 2007-01-25 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 (6 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-20070213345-A1 Immuno Inhibitory Pyrazolone Compounds MSR1, CD40, CD4 CXCR4 344/4885CXCL12 2425/4885RAD52 2128/4885
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAP4K2, MAPKAPK5 CXCR4 4081/4885CXCL12 3456/4885RAD52 3635/4885
US-20090312334-A1 Immunomodulating Heterocyclic Compounds CD40, CD40LG, NGFR CXCR4 204/4885CXCL12 2240/4885RAD52 1638/4885
US-20100331342-A1 Immuno Inhibitory Pyrazolone Compounds MSR1, CD40, CD4 CXCR4 371/4885CXCL12 2807/4885RAD52 2136/4885
US-20080045527-A1 Immunomodulating Heterocyclic Compounds CD40, CD40LG, NGFR CXCR4 204/4885CXCL12 2240/4885RAD52 1638/4885
US-20070021428-A1 Immunomodulating heterocyclic compounds CD40, CD40LG, NGFR CXCR4 185/4885CXCL12 2169/4885RAD52 1383/4885

“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.