SCHEMBL10168602

SCHEMBL10168602

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

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.53
▸ RXFP1 Q9HBX9 2/20 0.44
▸ NPY4R P50391 11/20 0.43
▸ NPY1R P25929 8/20 0.43
▸ NPY5R Q15761 8/20 0.43
▸ NPY2R P49146 6/20 0.43
▸ NMT2 O60551 1/20 0.42
▸ NMT1 P30419 1/20 0.42
▸ PTH1R Q03431 1/20 0.41

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
SCHEMBL10168798 0.90 TFPI (0.51) TFPIRXFP1NPY4RNPY1RNPY5R
SCHEMBL10168573 0.89 TFPI (0.53) TFPIRXFP1PTH1R
SCHEMBL10169254 0.89 NPY4R (0.49) TFPINPY4RNPY1RNPY5RNPY2R
SCHEMBL10168801 0.86 TFPI (0.48) TFPIRXFP1NPY4RNPY1RNPY5R
SCHEMBL10168630 0.83 RXFP1 (0.54) TFPIRXFP1NPY4RNPY1RNPY5R
SCHEMBL18773238 0.83 TFPI (0.43) TFPIRXFP1NPY4RNPY1RNPY5R
SCHEMBL10169230 0.83 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2RNMT2
SCHEMBL16507919 0.82 NPY4R (0.50) TFPINPY4RNPY1RNPY5RNPY2R
SCHEMBL10168577 0.82 RXFP1 (0.57) TFPIRXFP1PTH1R
SCHEMBL10168834 0.82 TFPI (0.55) TFPIRXFP1NPY4RNPY1RNPY5R

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-20120028888-A1 APJ RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. 2012-02-02 — — 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-20120028888-A1 APJ RECEPTOR COMPOUNDS APLNR, AP1G1, AP2B1 TFPI 2851/4885RXFP1 827/4885NPY4R 1574/4885

“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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