SCHEMBL13638564

SCHEMBL13638564

CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC)NC(=O)[C@H](CCCCN)N(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](C)NC)[C@@H](C)CC

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.48
▸ CCKBR P32239 1/20 0.46
▸ TFPI P10646 1/20 0.46
▸ NPBWR1 P48145 2/20 0.45
▸ GLP1R P43220 2/20 0.44
▸ OPRD1 P41143 1/20 0.44
▸ NTSR2 O95665 1/20 0.43
▸ NTSR1 P30989 1/20 0.43

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
SCHEMBL13638754 0.93 F2 (0.54) F2TFPINPBWR1GLP1ROPRD1
SCHEMBL13634057 0.79 F2 (0.55) F2OPRD1NTSR2NTSR1
SCHEMBL13633986 0.78 NPY4R (0.58) F2NTSR2NTSR1
SCHEMBL31307237 0.78 GLP1R (0.53) F2GLP1R
SCHEMBL18234195 0.77 KISS1R (0.49) F2TFPIGLP1ROPRD1
SCHEMBL29702389 0.77 TFPI (0.54) F2TFPINPBWR1OPRD1NTSR2
SCHEMBL13633962 0.76 F2 (0.52) F2TFPIOPRD1NTSR2NTSR1
SCHEMBL13634094 0.76 BACE1 (0.55) F2TFPIOPRD1NTSR2NTSR1
SCHEMBL29702470 0.76 TFPI (0.54) F2TFPINPBWR1GLP1ROPRD1
SCHEMBL30633108 0.75 KISS1R (0.61) TFPIGLP1ROPRD1

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-8304388-B2 Imaging agents GE HEALTHCARE LIMITED (GB) 2012-11-06 — — US disclosed
US-20090191123-A1 NOVEL IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2009-07-30 — — US disclosed
US-20090191123-A1 NOVEL IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2009-07-30 — — 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-20090191123-A1 NOVEL IMAGING AGENTS MMP1, CD68, KIT F2 1249/4885CCKBR 2038/4885TFPI 183/4885

“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.

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