SCHEMBL7933593

SCHEMBL7933593

COC(=O)CN1CCNCCNCCNCC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.53
CHRM3 P20309 2/20 0.53
SIGMAR1 Q99720 6/20 0.49
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PADI1 Q9ULC6 1/20 0.38
PADI4 Q9UM07 1/20 0.38
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CXCR4 P61073 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL2922056 0.98 CHRM5 (0.55) CHRM5CHRM3SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL4219766 0.96 CHRM5 (0.53) CHRM5CHRM3SIGMAR1MEN1KMT2A
SCHEMBL6887723 0.96 CHRM5 (0.53) CHRM5CHRM3SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL8483418 0.96 CHRM5 (0.53) CHRM5CHRM3SIGMAR1MEN1KMT2A
SCHEMBL2915702 0.91 CHRM5 (0.53) CHRM5CHRM3SIGMAR1MEN1KMT2A
SCHEMBL16749995 0.86 SIGMAR1 (0.49) CHRM5CHRM3SIGMAR1MEN1KMT2A
SCHEMBL31216071 0.84 SIGMAR1 (0.43) CHRM5CHRM3SIGMAR1MEN1KMT2A
SCHEMBL1133592 0.83
SCHEMBL12379861 0.83 TSHR (0.46) TSHRHSD17B10SMN1; SMN2ALDH1A1TDP1
SCHEMBL70778 0.83 TSHR (0.46) TSHRHSD17B10SMN1; SMN2ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635464-B2 Selective targeting of apoptotic cells NEW SOUTH INNOVATIONS PTY LIMITED (AU) 2009-12-22 US disclosed
US-7635464-B2 Selective targeting of apoptotic cells NEW SOUTH INNOVATIONS PTY LIMITED (AU) 2009-12-22 US disclosed
US-20090311179-A1 Selective Targeting of Apoptotic Cells NEW SOUTH INNOVATIONS PTY LIMITED (AU) 2009-12-17 US disclosed
US-20090311179-A1 Selective Targeting of Apoptotic Cells NEW SOUTH INNOVATIONS PTY LIMITED (AU) 2009-12-17 US disclosed
US-6180113-B1 USED IN TUMOR THERAPY AND INTERVENTIONAL RADIOLOGY SCHERING AG (DE) 2001-01-30 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-20090311179-A1 Selective Targeting of Apoptotic Cells BAX, BAD, BCL2 CHRM5 4850/4885CHRM3 4830/4885SIGMAR1 2935/4885

“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.