SCHEMBL15867652

SCHEMBL15867652

C=C(O)CN1CCNCCN(CC(=O)O)CCNCC1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.44
CHRM3 P20309 2/20 0.44
HSD17B10 Q99714 1/20 0.44
SIGMAR1 Q99720 7/20 0.41
EGFR P00533 1/20 0.38
KDM5C P41229 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 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
SCHEMBL11854218 0.89 CHRM5 (0.42) CHRM5CHRM3HSD17B10SIGMAR1EGFR
SCHEMBL337070 0.89 HSD17B10 (0.52) CHRM5CHRM3HSD17B10SIGMAR1KDM5C
SCHEMBL175840 0.89 CHRM5 (0.42) CHRM5CHRM3HSD17B10SIGMAR1EGFR
SCHEMBL8524847 0.89 CHRM5 (0.42) CHRM5CHRM3HSD17B10SIGMAR1EGFR
SCHEMBL62990 0.89 HSD17B10 (0.52) CHRM5CHRM3HSD17B10SIGMAR1KDM5C
Hydrochloric Acid SCHEMBL1373260 0.87 CHRM5 (0.50) CHRM5CHRM3HSD17B10SIGMAR1EGFR
SCHEMBL472213 0.87 CHRM5 (0.50) CHRM5CHRM3HSD17B10SIGMAR1KDM5C
Hydrochloric Acid SCHEMBL4441607 0.87 CHRM5 (0.50) CHRM5CHRM3HSD17B10SIGMAR1EGFR
SCHEMBL8156231 0.87 SMN1; SMN2 (0.42) CHRM5CHRM3HSD17B10SIGMAR1EGFR
Water SCHEMBL4953290 0.87 CHRM5 (0.50) CHRM5CHRM3HSD17B10SIGMAR1KDM5C

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-20140193344-A1 IMAGING CONTRAST AGENTS AND USES THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2014-07-10 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-20140193344-A1 IMAGING CONTRAST AGENTS AND USES THEREOF SLC40A1, SLC39A14, SLC39A3 CHRM5 4132/4885CHRM3 3423/4885HSD17B10 3932/4885

“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.