SCHEMBL31207720

SCHEMBL31207720

CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=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](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](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 4/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.48
▸ OPRM1 P35372 6/20 0.47
▸ OPRK1 P41145 6/20 0.47
▸ NPY5R Q15761 3/20 0.46
▸ NPY1R P25929 2/20 0.46
▸ NPY4R P50391 2/20 0.46
▸ NR3C1 P04150 2/20 0.45
▸ GLP1R P43220 1/20 0.44
▸ SCTR P47872 1/20 0.44

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
SCHEMBL29460678 1.00 TFPI (0.54) TFPIRXFP1OPRM1OPRK1NPY5R
SCHEMBL29659755 0.90 GLP1R (0.47) TFPINPY5RNPY1RNPY4RGLP1R
SCHEMBL30930088 0.87 FURIN (0.46) TFPIOPRM1OPRK1
SCHEMBL6035701 0.87 OPRM1 (0.58) TFPIOPRM1OPRK1NPY5RNPY1R
SCHEMBL29659741 0.87 NPY4R (0.47) NPY5RNPY1RNPY4RGLP1RSCTR
SCHEMBL16976068 0.86 TFPI (0.59) TFPINPY5RNPY1RNPY4RNR3C1
SCHEMBL14479450 0.86 TFPI (0.59) TFPINPY5RNPY1RNPY4RNR3C1
SCHEMBL29659733 0.86 C5AR1 (0.53) TFPINPY5RNPY1RNPY4RGLP1R
SCHEMBL29659782 0.85 NPY4R (0.48) NPY5RNPY1RNPY4RGLP1RSCTR
SCHEMBL14479369 0.85 GLP1R (0.50) TFPIRXFP1NPY5RNPY1RNPY4R

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-20240350578-A1 FUNCTIONAL OUTCOMES AFTER SPINAL CORD INJURY DUKE UNIVERSITY 2024-10-24 — — 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-20240350578-A1 FUNCTIONAL OUTCOMES AFTER SPINAL CORD INJURY SMN1; SMN2, CSTB, BDNF TFPI 1386/4885RXFP1 101/4885OPRM1 1267/4885

“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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