SCHEMBL13634040

SCHEMBL13634040

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

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.56
▸ BACE1 P56817 4/20 0.51
▸ BACE2 Q9Y5Z0 3/20 0.51
▸ KISS1R Q969F8 9/20 0.49
▸ IL23R Q5VWK5 2/20 0.48
▸ VIPR2 P41587 1/20 0.48
▸ NPY1R P25929 2/20 0.47
▸ NPY2R P49146 2/20 0.47
▸ NPY4R P50391 2/20 0.47
▸ NPY5R Q15761 2/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ OPRD1 P41143 1/20 0.47
▸ OPRK1 P41145 1/20 0.47

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
SCHEMBL31369291 0.83 KISS1R (0.61) TFPIBACE1BACE2KISS1RIL23R
SCHEMBL13781455 0.83 TFPI (0.53) TFPIBACE1BACE2KISS1RIL23R
SCHEMBL29520890 0.83 BACE1 (0.57) BACE1BACE2KISS1RVIPR2NPY1R
SCHEMBL13634028 0.83 TFPI (0.53) TFPIBACE1BACE2KISS1RIL23R
SCHEMBL30974094 0.82 KISS1R (0.53) TFPIBACE1BACE2KISS1RIL23R
SCHEMBL31369292 0.81 KISS1R (0.57) TFPIBACE1BACE2KISS1RIL23R
SCHEMBL30974431 0.81 KISS1R (0.53) TFPIBACE1BACE2KISS1RIL23R
SCHEMBL31462099 0.80 BACE1 (0.66) TFPIBACE1BACE2VIPR2
SCHEMBL29778027 0.80 VIPR2 (0.54) TFPIBACE1BACE2KISS1RVIPR2
SCHEMBL29520980 0.80 VIPR2 (0.54) TFPIBACE1BACE2KISS1RVIPR2

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 4 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-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 TFPI 183/4885BACE1 4028/4885BACE2 3710/4885

“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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