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SCHEMBL16508992

SCHEMBL16508992

CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)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)C(=O)N[C@H](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)[C@@H](C)CC

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 15/20 0.53
▸ PTH1R Q03431 1/20 0.52
▸ KEAP1 Q14145 1/20 0.52
▸ GLP1R P43220 2/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.51

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
SCHEMBL16509004 0.94 KISS1R (0.47) KISS1RPTH1RKEAP1GLP1R
SCHEMBL16509058 0.90 KEAP1 (0.50) KISS1RPTH1RKEAP1GLP1RRXFP1
SCHEMBL31152457 0.86 GLP1R (0.58) GLP1R
SCHEMBL31152464 0.86 GLP1R (0.58) GLP1R
SCHEMBL31152459 0.86 GLP1R (0.58) GLP1R
SCHEMBL31152458 0.86 GLP1R (0.58) GLP1R
SCHEMBL30533176 0.86 EDNRA (0.65) KISS1RKEAP1GLP1RRXFP1
SCHEMBL31152462 0.85 GLP1R (0.59) GLP1R
SCHEMBL31232537 0.85 PTH1R (0.63) PTH1RGLP1R
SCHEMBL31106515 0.85 KEAP1 (0.62) PTH1RKEAP1GLP1RRXFP1

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

“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.