SCHEMBL17526564

SCHEMBL17526564

CCC[C@H](CCO)CCCN1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.40
SIGMAR1 Q99720 3/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
GNAO1 P09471 5/20 0.36
GNAI3 P08754 4/20 0.36
GNAI1 P63096 4/20 0.36
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
GBA1 P04062 3/20 0.34
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SOD3 P08294 2/20 0.33

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
SCHEMBL17526835 1.00 CXCR4 (0.40) CXCR4SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL17526941 0.95 CXCR4 (0.41) CXCR4SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL17526735 0.90 CXCR4 (0.42) CXCR4SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL17526641 0.90 CXCR4 (0.42) CXCR4SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL15187302 0.89 LMNA (0.41) CXCR4SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL15187305 0.89 LMNA (0.41) CXCR4SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL21348729 0.88 CXCR4 (0.43) CXCR4SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL17526859 0.85 CXCR4 (0.43) CXCR4SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL17526517 0.85 CXCR4 (0.43) CXCR4SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL17526820 0.84 CXCR4 (0.46) CXCR4SIGMAR1CHRM2CHRM4CHRM5

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-20160039879-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2016-02-11 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-20160039879-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 CXCR4 2243/4885SIGMAR1 3999/4885CHRM2 4339/4885

“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.