SCHEMBL17929342

SCHEMBL17929342

O=C(O)c1cc(CN2CCCNCCNCCCNCC2)ccc1CN1CCCNCCNCCCNCC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 14/20 0.61
MEN1 O00255 1/20 0.61
CHRM2 P08172 1/20 0.61
CHRM1 P11229 1/20 0.61
ADRA2C P18825 1/20 0.61
CCR2 P41597 1/20 0.61
CXCL12 P48061 1/20 0.61
BLM P54132 1/20 0.61
KMT2A Q03164 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
HRH3 Q9Y5N1 1/20 0.61
SIGMAR1 Q99720 2/20 0.43
CHRM3 P20309 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HIF1A Q16665 1/20 0.42
KDM5C P41229 1/20 0.41
KDM4C Q9H3R0 1/20 0.41

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
SCHEMBL17929345 0.86 CXCR4 (0.56) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL898696 0.83 ALDH1A1 (0.54) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL20806665 0.82 CXCR4 (0.51) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL898695 0.80 CXCR4 (0.74) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL25978396 0.80 CXCR4 (0.48) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL674057 0.79 CXCR4 (0.68) CXCR4MEN1CHRM2CHRM1ADRA2C
Hydrochloric Acid SCHEMBL2489671 0.79 CXCR4 (0.75) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL29823295 0.79 CXCR4 (0.68) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL5611617 0.78 CXCR4 (1.00) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL29490414 0.78 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 2 patents. 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
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 5/4885MEN1 4840/4885CHRM2 1329/4885

“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.