SCHEMBL20000664

SCHEMBL20000664

CC(C)CCC1CN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CCN1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 5/20 0.38
CHRM5 P08912 1/20 0.35
CHRM3 P20309 1/20 0.35
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
XIAP P98170 4/20 0.32
SLC6A9 P48067 1/20 0.31
CCR2 P41597 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL9187015 0.80 BIRC2 (0.40) BIRC2CHRM5CHRM3HSD17B10MAPT
SCHEMBL8815561 0.80 BIRC2 (0.40) BIRC2HSD17B10MAPT
SCHEMBL12195315 0.79 BIRC2 (0.35) BIRC2HSD17B10MAPT
SCHEMBL15894887 0.77 BIRC2 (0.38) BIRC2HSD17B10MAPTCCR2KCNH2
SCHEMBL9186309 0.77 BIRC2 (0.61) BIRC2XIAP
SCHEMBL14097349 0.77 BIRC2 (0.41) BIRC2HSD17B10MAPTXIAP
SCHEMBL6100284 0.77 BIRC2 (0.41) BIRC2HSD17B10MAPT
SCHEMBL20473764 0.75 BIRC2 (0.34) BIRC2HSD17B10MAPTSLC6A9
SCHEMBL18922120 0.74 BIRC2 (0.43) BIRC2CHRM5CHRM3HSD17B10MAPT
SCHEMBL24296905 0.74 BIRC2 (0.36) BIRC2HSD17B10MAPT

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-10039845-B2 Labeled inhibitors of prostate specific membrane antigen (PSMA) biological evaluation, and use of imaging agents THE JOHNS HOPKINS UNIVERSITY (US) 2018-08-07 US disclosed
US-20180085478-A1 LABELED INHIBITORS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) BIOLOGICAL EVALUATION, AND USE OF IMAGING AGENTS THE JOHNS HOPKINS UNIVERSITY (US) 2018-03-29 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 (2 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-20180085478-A1 LABELED INHIBITORS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) BIOLOGICAL EVALUATION, AND USE OF IMAGING AGENTS FOLH1, KLK3, PHOSPHO1 BIRC2 1902/4885CHRM5 4671/4885CHRM3 4379/4885
US-10039845-B2 Labeled inhibitors of prostate specific membrane antigen (PSMA) biological evaluation, and use of imaging agents FOLH1, KLK3, PHOSPHO1 BIRC2 1902/4885CHRM5 4671/4885CHRM3 4379/4885

“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.