SCHEMBL17931046

SCHEMBL17931046

COc1cc(CN2CCCNCCNCCCNCC2)c(OC)cc1CN1CCCNCCNCCCNCC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 10/20 0.55
CHRM2 P08172 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
MEN1 O00255 1/20 0.55
CHRM1 P11229 1/20 0.55
ADRA2C P18825 1/20 0.55
CCR2 P41597 1/20 0.55
CXCL12 P48061 1/20 0.55
BLM P54132 1/20 0.55
KMT2A Q03164 1/20 0.55
HRH3 Q9Y5N1 1/20 0.55
CYP1A2 P05177 1/20 0.55
SLC6A4 P31645 1/20 0.55
OPRD1 P41143 1/20 0.55
OPRK1 P41145 1/20 0.55
APOBEC3A P31941 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
APOBEC3G Q9HC16 1/20 0.54
KDM4E B2RXH2 2/20 0.48

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
Hydrochloric Acid SCHEMBL27837634 0.86 KDM4E (0.63) CHRM2TDP1MEN1KMT2ACYP1A2
SCHEMBL20545632 0.82 CYP1A2 (0.55) CHRM2TDP1CYP1A2SLC6A4OPRD1
SCHEMBL29690180 0.82 CYP1A2 (0.55) CHRM2TDP1CYP1A2SLC6A4OPRD1
SCHEMBL18753807 0.81 CYP2D6 (0.67) CXCR4CHRM2TDP1MEN1CHRM1
SCHEMBL675122 0.80 CXCR4 (0.60) CXCR4CHRM2TDP1MEN1CHRM1
SCHEMBL7608588 0.80 CXCR4 (0.60) CXCR4CHRM2TDP1MEN1CHRM1
SCHEMBL9829670 0.79 KDM4E (0.66) TDP1MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL9620928 0.77 KDM4E (0.64) CXCR4CHRM2TDP1MEN1CHRM1
SCHEMBL9397289 0.77 CXCR4 (0.60) CXCR4CHRM2TDP1MEN1CHRM1
SCHEMBL9185135 0.77 CYP1A2 (0.59) CHRM2TDP1CYP1A2SLC6A4OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160206592-A1 METHOD FOR TREATING AMYOTROPHIC LATERAL SCLEROSIS BY INHIBITION OF CXCR4/CXCL12 SIGNALING RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2016-07-21 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 (1 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-20160206592-A1 METHOD FOR TREATING AMYOTROPHIC LATERAL SCLEROSIS BY INHIBITION OF CXCR4/CXCL12 SIGNALING CXCL12, GRM2, GRM1 CXCR4 5/4885CHRM2 1329/4885TDP1 3133/4885

“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.