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SCHEMBL16509058

SCHEMBL16509058

CC[C@H](C)[C@H](NC(=O)[C@H]([C@@H](C)CC)N1C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](C)CCCNC(=N)N)CC1C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.50
▸ KISS1R Q969F8 4/20 0.46
▸ PTH1R Q03431 10/20 0.46
▸ GLP1R P43220 3/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.44
▸ MSTN O14793 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
SCHEMBL16508992 0.90 KISS1R (0.53) KEAP1KISS1RPTH1RGLP1RRXFP1
SCHEMBL16509004 0.84 KISS1R (0.47) KEAP1KISS1RPTH1RGLP1R
SCHEMBL16509106 0.84 PTH1R (0.55) PTH1R
SCHEMBL16509030 0.81 NPY4R (0.45) KEAP1KISS1R
SCHEMBL31152464 0.78 GLP1R (0.58) GLP1R
SCHEMBL31152457 0.78 GLP1R (0.58) GLP1R
SCHEMBL31152458 0.78 GLP1R (0.58) GLP1R
SCHEMBL31152459 0.78 GLP1R (0.58) GLP1R
SCHEMBL30533176 0.77 EDNRA (0.65) KEAP1KISS1RGLP1RRXFP1
SCHEMBL16507978 0.77 KISS1R (0.47) KISS1RGLP1R

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 KEAP1 1910/4885KISS1R 363/4885PTH1R 1128/4885

“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.