SCHEMBL15043631

SCHEMBL15043631

c1cc(CN2CCNCCCNCCNCC2)ccc1CN1CCNCCCNCCNCC1

nearest known ligand 0.92

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 16/20 0.92
HRH3 Q9Y5N1 2/20 0.92
MEN1 O00255 1/20 0.92
CHRM2 P08172 1/20 0.92
CHRM1 P11229 1/20 0.92
ADRA2C P18825 1/20 0.92
CCR2 P41597 1/20 0.92
CXCL12 P48061 1/20 0.92
BLM P54132 1/20 0.92
KMT2A Q03164 1/20 0.92
TDP1 Q9NUW8 1/20 0.92
SIGMAR1 Q99720 2/20 0.68

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
Plerixafor SCHEMBL414153 0.94 CXCR4 (1.00) CXCR4HRH3MEN1CHRM2CHRM1
Hydrochloric Acid SCHEMBL7612104 0.94 CXCR4 (1.00) CXCR4HRH3MEN1CHRM2CHRM1
Hydrochloric Acid SCHEMBL7610931 0.94 CXCR4 (1.00) CXCR4HRH3MEN1CHRM2CHRM1
Plerixafor SCHEMBL6889125 0.94 CXCR4 (1.00) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL1259387 0.94 CXCR4 (0.81) CXCR4HRH3MEN1CHRM2CHRM1
Plerixafor SCHEMBL1649655 0.93 CXCR4 (0.93) CXCR4HRH3MEN1CHRM2CHRM1
Plerixafor SCHEMBL123040 0.93 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180369428-A1 RADIOACTIVE PROBE FOR DETECTING HYDROGEN SULFIDE KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY- ACADEMIC COOPERATION FOUNDATION (KR) 2018-12-27 US claimed
EP-3281643-A2 RADIOACTIVE PROBE FOR DETECTING HYDROGEN SULFIDE Kyungpook National University Industry-Academic Cooperation Foundation (KR) 2018-02-14 EP claimed
US-20200138982-A1 RADIOACTIVE PROBE FOR DETECTING HYDROGEN SULFIDE KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY- ACADEMIC COOPERATION FOUNDATION (KR) 2020-05-07 US disclosed
US-10583206-B2 Radioactive probe for detecting hydrogen sulfide Kyungpook National University Industry-Academic, Cooperation Foundation (KR) 2020-03-10 US disclosed
US-20180369428-A1 RADIOACTIVE PROBE FOR DETECTING HYDROGEN SULFIDE KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY- ACADEMIC COOPERATION FOUNDATION (KR) 2018-12-27 US disclosed
EP-3281643-A2 RADIOACTIVE PROBE FOR DETECTING HYDROGEN SULFIDE Kyungpook National University Industry-Academic Cooperation Foundation (KR) 2018-02-14 EP disclosed
US-9233971-B2 Lipomacrocycles and uses thereof AGAVE PHARMA, INCORPORATED 2016-01-12 US disclosed
US-9233971-B2 Lipomacrocycles and uses thereof AGAVE PHARMA, INCORPORATED 2016-01-12 US disclosed
US-20130156851-A1 LIPOMACROCYCLES AND USES THEREOF AGAVE PHARMA, INCORPORATED 2013-06-20 US disclosed
US-20130156851-A1 LIPOMACROCYCLES AND USES THEREOF AGAVE PHARMA, INCORPORATED 2013-06-20 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 (4 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-20180369428-A1 RADIOACTIVE PROBE FOR DETECTING HYDROGEN SULFIDE TST, CTH, CBS CXCR4 3011/4885HRH3 172/4885MEN1 2258/4885
US-20130156851-A1 LIPOMACROCYCLES AND USES THEREOF LIPC, LIPA, LIPE CXCR4 373/4885HRH3 321/4885MEN1 1689/4885
US-20200138982-A1 RADIOACTIVE PROBE FOR DETECTING HYDROGEN SULFIDE TST, SCLY, CTH CXCR4 3652/4885HRH3 214/4885MEN1 2360/4885
US-10583206-B2 Radioactive probe for detecting hydrogen sulfide TST, SCLY, CTH CXCR4 3652/4885HRH3 214/4885MEN1 2360/4885

“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.