SCHEMBL16508471

SCHEMBL16508471

CN[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.57
▸ KISS1R Q969F8 6/20 0.57
▸ OPRM1 P35372 1/20 0.53
▸ OPRD1 P41143 1/20 0.53
▸ OPRK1 P41145 1/20 0.53
▸ NPY4R P50391 4/20 0.52
▸ NPY1R P25929 3/20 0.52
▸ NPY2R P49146 3/20 0.52
▸ NPY5R Q15761 3/20 0.52
▸ KEAP1 Q14145 2/20 0.52
▸ IL23R Q5VWK5 1/20 0.50

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
SCHEMBL16508439 0.95 KISS1R (0.55) TFPIKISS1ROPRM1OPRD1OPRK1
SCHEMBL26057785 0.90 TFPI (0.62) TFPIKISS1ROPRM1OPRD1OPRK1
SCHEMBL30537834 0.88 TFPI (0.60) TFPIKISS1ROPRM1OPRD1OPRK1
SCHEMBL30537833 0.87 TFPI (0.61) TFPIKISS1ROPRM1OPRD1OPRK1
SCHEMBL30537835 0.87 NPY4R (0.60) TFPIKISS1ROPRM1OPRD1OPRK1
SCHEMBL30570977 0.85 NPY4R (0.58) KISS1RNPY4RNPY1RNPY2RNPY5R
SCHEMBL29875567 0.85 KISS1R (0.68) TFPIKISS1ROPRM1OPRD1OPRK1
SCHEMBL14479429 0.85 GLP1R (0.55) TFPIKISS1RIL23R
SCHEMBL29875761 0.84 KISS1R (0.70) TFPIKISS1ROPRM1OPRD1OPRK1
SCHEMBL30570978 0.84 KISS1R (0.56) KISS1RNPY4RNPY1RNPY2RNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110300167-A1 CXCR5 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. 2011-12-08 — — 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-20110300167-A1 CXCR5 RECEPTOR COMPOUNDS CXCR5, CXCR1, CCR5 TFPI 2884/4885KISS1R 231/4885OPRM1 1105/4885

“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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