SCHEMBL29490414

SCHEMBL29490414

c1cc(CN2CCCNCCNCCCNCC2)ccc1CN1CCCNCCNCCNCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 16/20 1.00
▸ HRH3 Q9Y5N1 2/20 1.00
▸ MEN1 O00255 1/20 1.00
▸ CHRM2 P08172 1/20 1.00
▸ CHRM1 P11229 1/20 1.00
▸ ADRA2C P18825 1/20 1.00
▸ CCR2 P41597 1/20 1.00
▸ CXCL12 P48061 1/20 1.00
▸ BLM P54132 1/20 1.00
▸ KMT2A Q03164 1/20 1.00
▸ TDP1 Q9NUW8 1/20 1.00
▸ SIGMAR1 Q99720 2/20 0.63

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
SCHEMBL5611617 1.00 CXCR4 (1.00) CXCR4HRH3MEN1CHRM2CHRM1
Plerixafor SCHEMBL19038 1.00 CXCR4 (1.00) CXCR4HRH3MEN1CHRM2CHRM1
Plerixafor SCHEMBL414153 0.98 CXCR4 (1.00) CXCR4HRH3MEN1CHRM2CHRM1
Plerixafor SCHEMBL6889125 0.98 CXCR4 (1.00) CXCR4HRH3MEN1CHRM2CHRM1
Hydrochloric Acid SCHEMBL7612104 0.98 CXCR4 (1.00) CXCR4HRH3MEN1CHRM2CHRM1
Hydrochloric Acid SCHEMBL7610931 0.98 CXCR4 (1.00) CXCR4HRH3MEN1CHRM2CHRM1
Plerixafor SCHEMBL1649655 0.96 CXCR4 (0.93) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL14065686 0.96 CXCR4 (0.93) CXCR4HRH3MEN1CHRM2CHRM1
Plerixafor SCHEMBL123040 0.96 CXCR4 (1.00) CXCR4HRH3MEN1CHRM2CHRM1
Plerixafor SCHEMBL5680189 0.96 CXCR4 (0.93) CXCR4HRH3MEN1CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-4308694-A1 DOSING REGIMENS FOR HEMATOPOIETIC STEM CELL MOBILIZATION FOR STEM CELL TRANSPLANTS IN MULTIPLE MYELOMA PATIENTS Magenta Therapeutics, Inc. (US) 2024-01-24 — — EP disclosed
US-20230414565-A1 COMPOSITIONS AND METHODS FOR TREATING HEMATOLOGICAL MALIGNANCIES ENSOMA, INC. 2023-12-28 — — US disclosed
CN-115997009-A Methods and compositions for in vivo transduction of hematopoietic stem and progenitor cells 美真达治疗公司 2023-04-21 — — CN disclosed
WO-2022197776-A1 DOSING REGIMENS FOR HEMATOPOIETIC STEM CELL MOBILIZATION FOR STEM CELL TRANSPLANTS IN MULTIPLE MYELOMA PATIENTS Magenta Therapeutics, Inc. (US) 2022-09-22 — — WO 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-20220096559-A1 DOSING REGIMENS FOR THE MOBILIZATION OF HEMATOPOIETIC STEM AND PROGENITOR CELLS ENSOMA, INC. 2022-03-31 — — 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-20230414565-A1 COMPOSITIONS AND METHODS FOR TREATING HEMATOLOGICAL MALIGNANCIES MCL1, CXCL12, KIT CXCR4 20/4885HRH3 1850/4885MEN1 667/4885
US-20220096559-A1 DOSING REGIMENS FOR THE MOBILIZATION OF HEMATOPOIETIC STEM AND PROGENITOR CELLS CXCL12, CD44, CD47 CXCR4 7/4885HRH3 1827/4885MEN1 1187/4885

“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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