SCHEMBL16508109

SCHEMBL16508109

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.49
▸ NPY4R P50391 5/20 0.45
▸ NPY1R P25929 4/20 0.45
▸ NPY2R P49146 4/20 0.45
▸ NPY5R Q15761 4/20 0.45
▸ GRIN2D O15399 1/20 0.45
▸ GRIN3B O60391 1/20 0.45
▸ GRIN1 Q05586 1/20 0.45
▸ GRIN2A Q12879 1/20 0.45
▸ GRIN2B Q13224 1/20 0.45
▸ GRIN2C Q14957 1/20 0.45
▸ GRIN3A Q8TCU5 1/20 0.45
▸ IL23R Q5VWK5 3/20 0.45
▸ KEAP1 Q14145 1/20 0.44
▸ NMT2 O60551 1/20 0.43
▸ NMT1 P30419 1/20 0.43
▸ KISS1R Q969F8 3/20 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
SCHEMBL16508141 0.98 TFPI (0.49) TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL16507930 0.96 TFPI (0.48) TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL16508153 0.93 TFPI (0.46) TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL16508070 0.91 NPY4R (0.61) TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL16508068 0.89 NPY4R (0.61) TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL16509011 0.89 NPY5R (0.48) TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL16507921 0.87 NPY4R (0.54) TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL16508548 0.86 SIRT5 (0.44) TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL16507857 0.86 NMT2 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16508045 0.85 TFPI (0.54) TFPINPY2RIL23RKEAP1KISS1R

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-20110294738-A1 PTHR1 RECEPTOR COMPOUNDS ANTHOR THERAPEUTICS, INC. 2011-12-01 — — 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-20110294738-A1 PTHR1 RECEPTOR COMPOUNDS PTH1R, MC1R, CASR TFPI 2646/4885NPY4R 1387/4885NPY1R 800/4885

“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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