SCHEMBL1259166

SCHEMBL1259166

Clc1c(Cl)c(CN2CCCNCCNCCCNCC2)c(Cl)c(CN2CCCNCCNCCCNCC2)c1Cl

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 16/20 0.64
MEN1 O00255 1/20 0.64
CHRM2 P08172 1/20 0.64
CHRM1 P11229 1/20 0.64
ADRA2C P18825 1/20 0.64
CCR2 P41597 1/20 0.64
CXCL12 P48061 1/20 0.64
BLM P54132 1/20 0.64
KMT2A Q03164 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
HRH3 Q9Y5N1 1/20 0.64
SIGMAR1 Q99720 2/20 0.44

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
Bromide SCHEMBL6854898 0.97 CXCR4 (0.61) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL673242 0.80 CXCR4 (0.61) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL5611617 0.78 CXCR4 (1.00) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL29490414 0.78 CXCR4 (1.00) CXCR4MEN1CHRM2CHRM1ADRA2C
Plerixafor SCHEMBL19038 0.78 CXCR4 (1.00) CXCR4MEN1CHRM2CHRM1ADRA2C
Bromide SCHEMBL1257497 0.77 CXCR4 (0.58) CXCR4MEN1CHRM2CHRM1ADRA2C
Plerixafor SCHEMBL414153 0.76 CXCR4 (1.00) CXCR4MEN1CHRM2CHRM1ADRA2C
Hydrochloric Acid SCHEMBL7612104 0.76 CXCR4 (1.00) CXCR4MEN1CHRM2CHRM1ADRA2C
Hydrochloric Acid SCHEMBL7610931 0.76 CXCR4 (1.00) CXCR4MEN1CHRM2CHRM1ADRA2C
Plerixafor SCHEMBL6889125 0.76 CXCR4 (1.00) CXCR4MEN1CHRM2CHRM1ADRA2C

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 9 patents. 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-RE42152-E1 Aromatic-linked polyamine macrocyclic compounds with anti-HIV activity GENZYME CORPORATION (US) 2011-02-15 US claimed
EP-0619813-B1 LINKED CYCLIC POLYAMINES WITH ACTIVITY AGAINST HIV ANORMED INC (CA) 2004-08-18 EP claimed
US-20240285831-A1 METHODS OF USE OF MODULATORS TO IMPROVE NERVE REGENERATION KEEFER, Edward (US) 2024-08-29 US disclosed
CN-111712262-A Dosing regimens for mobilizing hematopoietic stem and progenitor cells 美真达治疗公司 2020-09-25 CN disclosed
US-20150030561-A1 Use of CXCR4 Antagonists GENZYME CORP. (US) 2015-01-29 US disclosed
US-20110245265-A1 CXCR4 ANTAGONISTS FOR KIDNEY INJURY GENZYME CORPORATION (US) 2011-10-06 US disclosed
US-20100178271-A1 Combination Therapy GENZYME CORPORATION (US) 2010-07-15 US disclosed
US-20100003224-A1 Combination Therapy GENZYME CORPORATION (US) 2010-01-07 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 (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-20110245265-A1 CXCR4 ANTAGONISTS FOR KIDNEY INJURY CXCR4, CXCR3, CXCR1 CXCR4 1/4885MEN1 4650/4885CHRM2 1505/4885
US-20150030561-A1 Use of CXCR4 Antagonists CXCR4, CXCR2, CXCR3 CXCR4 1/4885MEN1 3707/4885CHRM2 1420/4885
US-20240285831-A1 METHODS OF USE OF MODULATORS TO IMPROVE NERVE REGENERATION CXCR3, CXCL12, CXCR4 CXCR4 3/4885MEN1 4348/4885CHRM2 847/4885
US-20100178271-A1 Combination Therapy CXCL12, CSF3R, CXCR4 CXCR4 3/4885MEN1 1508/4885CHRM2 3149/4885
US-20100003224-A1 Combination Therapy CXCL12, CXCR4, SDF4 CXCR4 2/4885MEN1 679/4885CHRM2 3833/4885

“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.