SCHEMBL14065686

SCHEMBL14065686

c1cc(CN2CCCNCCNCCCNCC2)ccc1CN1CCCNCCCCCCNCC1

nearest known ligand 0.93

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 14/20 0.93
HRH3 Q9Y5N1 3/20 0.93
MEN1 O00255 1/20 0.93
CHRM2 P08172 1/20 0.93
CHRM1 P11229 1/20 0.93
ADRA2C P18825 1/20 0.93
CCR2 P41597 1/20 0.93
CXCL12 P48061 1/20 0.93
BLM P54132 1/20 0.93
KMT2A Q03164 1/20 0.93
TDP1 Q9NUW8 1/20 0.93
SIGMAR1 Q99720 2/20 0.59
HRH4 Q9H3N8 1/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52

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 0.96 CXCR4 (1.00) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL29490414 0.96 CXCR4 (1.00) CXCR4HRH3MEN1CHRM2CHRM1
Plerixafor SCHEMBL19038 0.96 CXCR4 (1.00) CXCR4HRH3MEN1CHRM2CHRM1
Hydrochloric Acid SCHEMBL7473839 0.95 CXCR4 (0.93) CXCR4HRH3MEN1CHRM2CHRM1
Hydrochloric Acid SCHEMBL7471461 0.95 CXCR4 (0.93) CXCR4HRH3MEN1CHRM2CHRM1
Hydrochloric Acid SCHEMBL7474513 0.95 CXCR4 (0.93) CXCR4HRH3MEN1CHRM2CHRM1
Plerixafor SCHEMBL414153 0.95 CXCR4 (1.00) CXCR4HRH3MEN1CHRM2CHRM1
Hydrochloric Acid SCHEMBL7610931 0.95 CXCR4 (1.00) CXCR4HRH3MEN1CHRM2CHRM1
Hydrochloric Acid SCHEMBL7612104 0.95 CXCR4 (1.00) CXCR4HRH3MEN1CHRM2CHRM1
Plerixafor SCHEMBL6889125 0.95 CXCR4 (1.00) 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
US-20230127198-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF TOXIC GAS EXPOSURE THE UAB RESEARCH FOUNDATION 2023-04-27 US disclosed
US-9827224-B2 Methods and compositions for ameliorating pancreatic cancer UNIVERSITY OF SOUTH ALABAMA (US) 2017-11-28 US disclosed
US-20160220532-A1 METHODS AND COMPOSITIONS FOR AMELIORATING PANCREATIC CANCER UNIVERSITY OF SOUTH ALABAMA 2016-08-04 US disclosed
US-20160081980-A1 Composition Comprising AMD3100 For Preventing or Treating Bone Diseases KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY - ACADEMIC COOPERATION FOUNDATION (KR) 2016-03-24 US disclosed
US-9267934-B2 Methods and compositions for ameliorating pancreatic cancer UNIVERSITY OF SOUTH ALABAMA (US) 2016-02-23 US disclosed
US-20130281423-A1 METHODS AND COMPOSITIONS FOR AMELIORATING PANCREATIC CANCER UNIVERSITY OF SOUTH ALABAMA (US) 2013-10-24 US disclosed
US-20080214509-A1 Methods for enhancing the efficacy of vascular disrupting agents OXIGENE, INC. 2008-09-04 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-20160220532-A1 METHODS AND COMPOSITIONS FOR AMELIORATING PANCREATIC CANCER CXCL12, CXCR4, CXCR3 CXCR4 2/4885HRH3 1214/4885MEN1 3059/4885
US-20080214509-A1 Methods for enhancing the efficacy of vascular disrupting agents CXCL12, CXCR4, CXCR2 CXCR4 2/4885HRH3 2418/4885MEN1 2440/4885
US-20230127198-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF TOXIC GAS EXPOSURE AREG, CCL11, BDKRB2 CXCR4 391/4885HRH3 301/4885MEN1 1555/4885
US-20160081980-A1 Composition Comprising AMD3100 For Preventing or Treating Bone Diseases CXCL12, CCL11, SDF4 CXCR4 4/4885HRH3 1136/4885MEN1 2802/4885
US-20130281423-A1 METHODS AND COMPOSITIONS FOR AMELIORATING PANCREATIC CANCER CXCL12, CXCR4, CXCR3 CXCR4 2/4885HRH3 1214/4885MEN1 3059/4885

“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.