SCHEMBL23114867

SCHEMBL23114867

C#CC1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 8/20 0.62
▸ AVPR1B P47901 5/20 0.62
▸ AVPR1A P37288 5/20 0.62
▸ AVPR2 P30518 3/20 0.62
▸ PTGS1 P23219 1/20 0.54
▸ TBXA2R P21731 1/20 0.52
▸ PDE4D Q08499 1/20 0.52
▸ PDE3A Q14432 1/20 0.52

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
SCHEMBL15511844 0.84 AVPR1B (0.68) OXTRAVPR1BAVPR1AAVPR2
SCHEMBL14008026 0.80 OXTR (0.73) OXTRAVPR1BAVPR1AAVPR2
SCHEMBL22333508 0.80 OXTR (0.77) OXTRAVPR1BAVPR1AAVPR2
SCHEMBL29367334 0.79 AVPR1A (0.89) OXTRAVPR1BAVPR1AAVPR2PTGS1
SCHEMBL15511438 0.79 OXTR (0.87) OXTRAVPR1BAVPR1AAVPR2PTGS1
SCHEMBL30525288 0.79 AVPR1A (0.89) OXTRAVPR1BAVPR1AAVPR2PTGS1
SCHEMBL29934390 0.79 AVPR1A (0.89) OXTRAVPR1BAVPR1AAVPR2PTGS1
Ornipressin SCHEMBL296322 0.79 AVPR1A (0.88) OXTRAVPR1BAVPR1AAVPR2PTGS1
Ornipressin SCHEMBL1650220 0.79 AVPR1A (0.88) OXTRAVPR1BAVPR1AAVPR2PTGS1
SCHEMBL23382250 0.79 OXTR (0.73) OXTRAVPR1BAVPR1AAVPR2PTGS1

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-20210077568-A1 PEPTIDE CONGENERS WITH POLYMER EXCIPIENTS ENDO OPERATIONS LIMITED (IE) 2021-03-18 — — 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-20210077568-A1 PEPTIDE CONGENERS WITH POLYMER EXCIPIENTS IAPP, VIP, NGLY1 OXTR 348/4885AVPR1B 93/4885AVPR1A 217/4885

“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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