SCHEMBL27428869

SCHEMBL27428869

CCCOc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@@H](N)Cc2c[nH]c3c(C)cccc23)C(C)(C)SCNC(C)=O)C(=O)OC)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 5/20 0.36
▸ NPY1R P25929 4/20 0.36
▸ NPY2R P49146 3/20 0.36
▸ CCKBR P32239 7/20 0.36
▸ IL1RN P18510 2/20 0.36
▸ ERAP2 Q6P179 2/20 0.36
▸ ERAP1 Q9NZ08 2/20 0.36
▸ CCKAR P32238 1/20 0.35
▸ KISS1R Q969F8 1/20 0.35
▸ AMY2A P04746 4/20 0.35

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
SCHEMBL27428810 1.00 NPY4R (0.36) NPY4RNPY1RNPY2RCCKBRIL1RN
SCHEMBL27428984 0.93 CCKBR (0.40) CCKBRCCKAR
SCHEMBL27434126 0.93 CCKBR (0.40) CCKBRCCKAR
SCHEMBL27428871 0.87 CCKBR (0.37) CCKBRCCKARAMY2A
SCHEMBL27429224 0.86 PAX8 (0.41) CCKBRAMY2A
SCHEMBL27429130 0.85 KISS1R (0.34) CCKBRKISS1RAMY2A
SCHEMBL27428911 0.83 CCKBR (0.38) CCKBRCCKARKISS1R
SCHEMBL27434029 0.81 CCKBR (0.40) CCKBRCCKARAMY2A
SCHEMBL27429128 0.79 CCKBR (0.34) CCKBRCCKARAMY2A
SCHEMBL27428842 0.78 IL1RN (0.37) CCKBRIL1RNERAP2ERAP1CCKAR

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-20240218014-A1 SYNTHESIS OF A CYCLIC PEPTIDE JANSSEN PHARMACEUTICA NV (BE) 2024-07-04 — — 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-20240218014-A1 SYNTHESIS OF A CYCLIC PEPTIDE VIP, QPCT, PTMS NPY4R 433/4885NPY1R 680/4885NPY2R 591/4885

“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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