SCHEMBL1879072

SCHEMBL1879072

C[N+](C(N)=O)(c1ccccc1)N1CCC(N(Cc2ccc(CNCc3ccccn3)cc2)Cc2ccccn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ CXCR4 P61073 6/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ HTR5A P47898 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL1879911 0.93 ALDH1A1 (0.39) L3MBTL1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1880362 0.79 KMT2A (0.45) L3MBTL1CXCR4CYP3A4CYP2D6MEN1
SCHEMBL1886813 0.77 HRH3 (0.45) L3MBTL1CXCR4CYP3A4CYP2D6ALDH1A1
SCHEMBL1879149 0.75 CXCR4 (0.41) L3MBTL1CXCR4CYP3A4CYP2D6ALDH1A1
SCHEMBL1877188 0.74 CXCR4 (0.49) CXCR4CYP3A4CYP2D6
SCHEMBL29823432 0.74 CXCR4 (0.49) CXCR4CYP3A4CYP2D6
SCHEMBL29823527 0.73 MGAM (0.42) L3MBTL1CXCR4CYP3A4CYP2D6ALDH1A1
SCHEMBL1874610 0.73 MGAM (0.42) L3MBTL1CXCR4CYP3A4CYP2D6ALDH1A1
SCHEMBL1874843 0.71 CXCR4 (0.39) L3MBTL1CXCR4CYP3A4CYP2D6ALDH1A1
SCHEMBL22581108 0.70 ALDH1A1 (0.41) L3MBTL1ALDH1A1MEN1KMT2ASMN1; SMN2

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935692-B2 Methods to mobilize progenitor/stem cells GENZYME CORPORATION (US) 2011-05-03 — — US claimed
US-20100035941-A1 METHODS FOR INCREASING BLOOD FLOW AND/OR PROMOTING TISSUE REGENERATION GENZYME CORPORATION 2010-02-11 — — US claimed
US-20060264434-A1 Chemokine receptor binding heterocyclic compounds ANORMED INC. (CA) 2006-11-23 — — US claimed
EP-1163238-B1 CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2006-05-31 — — EP claimed
US-20040235823-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-25 — — US claimed
US-20240189387-A1 DOSING REGIMENS FOR HEMATOPOIETIC STEM CELL MOBILIZATION FOR STEM CELL TRANSPLANTS IN MULTIPLE MYELOMA PATIENTS ENSOMA, INC. 2024-06-13 — — US disclosed
EP-3735412-B1 COMPOSITIONS AND METHODS FOR THE EXPANSION OF HEMATOPOIETIC STEM AND PROGENITOR CELLS AND TREATMENT OF INHERITED METABOLIC DISORDERS EDIGENE BIOTECHNOLOGY INC (CN) 2024-02-21 — — EP disclosed
US-20230414565-A1 COMPOSITIONS AND METHODS FOR TREATING HEMATOLOGICAL MALIGNANCIES ENSOMA, INC. 2023-12-28 — — US disclosed
US-20230130646-A1 DOSING REGIMENS FOR THE MOBILIZATION OF HEMATOPOIETIC STEM CELLS Magenta Therapeutics, Inc. (US) 2023-04-27 — — US disclosed
EP-4143302-A1 METHODS AND COMPOSITIONS FOR TRANSDUCING HEMATOPOIETIC STEM AND PROGENITOR CELLS IN VIVO Magenta Therapeutics, Inc. (US) 2023-03-08 — — EP disclosed
US-20220401481-A1 DOSING REGIMENS FOR THE MOBILIZATION OF HEMATOPOIETIC STEM AND PROGENITOR CELLS ENSOMA, INC. 2022-12-22 — — US disclosed
EP-4051298-A1 DOSING REGIMENS FOR THE MOBILIZATION OF HEMATOPOIETIC STEM AND PROGENTOR CELLS Magenta Therapeutics, Inc. (US) 2022-09-07 — — EP disclosed
US-7169750-B2 Methods to mobilize progenitor/stem cells ANORMED, INC. (CA) 2007-01-30 — — US disclosed
US-20060264434-A1 Chemokine receptor binding heterocyclic compounds ANORMED INC. (CA) 2006-11-23 — — US disclosed
US-20060193826-A1 Methods to mobilize progenitor/stem cells ANORMED INC. (CA) 2006-08-31 — — US disclosed
US-20060035829-A1 Chemokine combinations to mobilize progenitor/stem cells ANORMED INC. 2006-02-16 — — US disclosed
US-6987102-B2 Methods to mobilize progenitor/stem cells ANORMED, INC. (CA) 2006-01-17 — — US disclosed
US-20050043367-A1 Methods to mobilize progenitor/stem cells ANORMED CORPORATION (CA) 2005-02-24 — — US disclosed
US-20040235823-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-25 — — US disclosed
US-6750348-B1 PROTECTIVE EFFECTS AGAINST INFECTION BY HIV THROUGH BINDING TO CHEMOKINE RECEPTORS, INCLUDING CXCR4 AND CCR5;N-(2-PYRIDINYLMETHYL)-N'-(2-(PHENYLUREIDO)ETHYL)-N'-(5,6,7,8-TETRAHYDRO-8-QUINOLINYL)-1,4-BENZENEDIMETHANAMINE ANORMED, INC. (CA) 2004-06-15 — — 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 (10 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-20060264434-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR4, CXCR1 L3MBTL1 2574/4885CXCR4 2/4885CYP3A4 1330/4885
US-20220401481-A1 DOSING REGIMENS FOR THE MOBILIZATION OF HEMATOPOIETIC STEM AND PROGENITOR CELLS CXCL12, CSF3R, MCL1 L3MBTL1 567/4885CXCR4 5/4885CYP3A4 4806/4885
US-20240189387-A1 DOSING REGIMENS FOR HEMATOPOIETIC STEM CELL MOBILIZATION FOR STEM CELL TRANSPLANTS IN MULTIPLE MYELOMA PATIENTS CXCL12, MCL1, MYADM L3MBTL1 357/4885CXCR4 11/4885CYP3A4 4780/4885
US-20230130646-A1 DOSING REGIMENS FOR THE MOBILIZATION OF HEMATOPOIETIC STEM CELLS CXCL12, CSF3R, THPO L3MBTL1 553/4885CXCR4 12/4885CYP3A4 4834/4885
US-20050043367-A1 Methods to mobilize progenitor/stem cells CXCL12, CXCR4, CXCR1 L3MBTL1 1492/4885CXCR4 2/4885CYP3A4 4662/4885
US-20230414565-A1 COMPOSITIONS AND METHODS FOR TREATING HEMATOLOGICAL MALIGNANCIES MCL1, CXCL12, KIT L3MBTL1 1549/4885CXCR4 20/4885CYP3A4 4846/4885
US-20060035829-A1 Chemokine combinations to mobilize progenitor/stem cells CXCL12, CXCR2, CXCR4 L3MBTL1 2112/4885CXCR4 3/4885CYP3A4 4678/4885
US-20060193826-A1 Methods to mobilize progenitor/stem cells CXCR4, CCR2, CXCL12 L3MBTL1 1650/4885CXCR4 1/4885CYP3A4 4863/4885
US-20100035941-A1 METHODS FOR INCREASING BLOOD FLOW AND/OR PROMOTING TISSUE REGENERATION CCR2, CXCR4, CXCR2 L3MBTL1 2124/4885CXCR4 2/4885CYP3A4 4455/4885
US-20040235823-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR4, CXCR1 L3MBTL1 3240/4885CXCR4 2/4885CYP3A4 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.

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