SCHEMBL6862487

SCHEMBL6862487

CN1CCCN2CCN(CCCN(CC(=O)O)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.50
HSD17B10 Q99714 1/20 0.40
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 2/20 0.38
CHKA P35790 4/20 0.38
PAOX Q6QHF9 1/20 0.36

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
SCHEMBL19361138 0.93 SIGMAR1 (0.56) SIGMAR1HSD17B10TSHRALDH1A1KMT2A
SCHEMBL14312080 0.93 SIGMAR1 (0.56) SIGMAR1HSD17B10TSHRALDH1A1KMT2A
SCHEMBL16855794 0.93 SIGMAR1 (0.56) SIGMAR1HSD17B10TSHRALDH1A1KMT2A
SCHEMBL14728651 0.93 SIGMAR1 (0.56) SIGMAR1HSD17B10TSHRALDH1A1KMT2A
SCHEMBL12605217 0.93 SIGMAR1 (0.56) SIGMAR1HSD17B10TSHRALDH1A1KMT2A
SCHEMBL18121357 0.91 HSD17B10 (0.47) SIGMAR1HSD17B10TSHRALDH1A1KMT2A
SCHEMBL10317239 0.89 HSD17B10 (0.48) SIGMAR1HSD17B10ALDH1A1
SCHEMBL9119001 0.89 HSD17B10 (0.48) SIGMAR1HSD17B10ALDH1A1
SCHEMBL22661894 0.89 HSD17B10 (0.48) SIGMAR1HSD17B10ALDH1A1
SCHEMBL12018111 0.89 HSD17B10 (0.48) SIGMAR1HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018110-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN ALPHA-9 ONCOLOGY INC. (CA) 2024-01-18 US disclosed
US-20040067201-A1 Substituted 1,4,8,11-tetraazabicyclo(6.6.2)hexadecane manganese (II) complexes; imaging vascular or nephric tissue THE PROCTER & GAMBLE COMPANY 2004-04-08 US disclosed
US-20020119101-A1 MRI image enhancement compositions THE PROCTER & GAMBLE COMPANY 2002-08-29 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-20240018110-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN KLK3, FOLH1, TMEM14C SIGMAR1 1699/4885HSD17B10 1624/4885TSHR 1149/4885
US-20040067201-A1 Substituted 1,4,8,11-tetraazabicyclo(6.6.2)hexadecane manganese (II) complexes; imaging vascular or nephric tissue PKD1, SLC10A1, TFRC SIGMAR1 1053/4885HSD17B10 2268/4885TSHR 3668/4885

“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.