SCHEMBL16509114

SCHEMBL16509114

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 4/20 0.48
▸ GCGR P47871 1/20 0.48
▸ GIPR P48546 1/20 0.48
▸ OPRL1 P41146 2/20 0.46
▸ TFPI P10646 1/20 0.46
▸ TLR2 O60603 1/20 0.46
▸ RXFP1 Q9HBX9 2/20 0.46
▸ NMT2 O60551 1/20 0.45
▸ NMT1 P30419 1/20 0.45
▸ ECE1 P42892 1/20 0.45
▸ MUS81 Q96NY9 1/20 0.45
▸ RAMP3 O60896 5/20 0.44
▸ CALCR P30988 5/20 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
SCHEMBL16509016 0.97 NPY4R (0.45) GLP1RGCGRGIPROPRL1ECE1
SCHEMBL16508981 0.97 NPY4R (0.45) GLP1RGCGRGIPROPRL1ECE1
SCHEMBL16509107 0.95 TLR2 (0.52) GLP1RGCGRGIPROPRL1TFPI
SCHEMBL16509013 0.92 NPY4R (0.49) GLP1RGCGRGIPRTLR2NMT2
SCHEMBL16509067 0.91 TLR2 (0.54) TLR2NMT2NMT1
SCHEMBL16509119 0.89 NPY4R (0.51) GLP1RGCGRGIPRRXFP1
SCHEMBL16509029 0.89 NPY4R (0.51) GLP1RGCGRGIPRRXFP1
SCHEMBL16509060 0.87 NPY4R (0.53) TLR2NMT2NMT1
SCHEMBL16508064 0.87 TFPI (0.49) GLP1RGCGRGIPROPRL1TFPI
SCHEMBL16507754 0.86 OPRL1 (0.46) GLP1RGCGRGIPROPRL1TFPI

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-20110301087-A1 CRF1 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-20110301087-A1 CRF1 RECEPTOR COMPOUNDS CRHR1, CRH, CRHR2 GLP1R 154/4885GCGR 131/4885GIPR 13/4885

“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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