SCHEMBL18657038

SCHEMBL18657038

CC[C@H](C)[C@H](NC(=O)CN(C)C(=O)[C@@H]1CC[S+]([O-])CCC(O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 18/20 0.53
▸ AVPR1B P47901 11/20 0.53
▸ AVPR1A P37288 9/20 0.53
▸ AVPR2 P30518 10/20 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
SCHEMBL17326982 0.95 OXTR (0.54) OXTRAVPR1BAVPR1AAVPR2
SCHEMBL17326969 0.94 OXTR (0.56) OXTRAVPR1BAVPR1AAVPR2
SCHEMBL17326957 0.94 OXTR (0.56) OXTRAVPR1BAVPR1AAVPR2
SCHEMBL18657045 0.93 OXTR (0.57) OXTRAVPR1BAVPR1AAVPR2
SCHEMBL18657041 0.93 OXTR (0.56) OXTRAVPR1BAVPR1AAVPR2
SCHEMBL17326971 0.92 OXTR (0.56) OXTRAVPR1BAVPR1AAVPR2
SCHEMBL17326984 0.91 OXTR (0.58) OXTRAVPR1BAVPR1AAVPR2
SCHEMBL17326902 0.89 OXTR (0.49) OXTRAVPR1BAVPR1AAVPR2
SCHEMBL18651649 0.88 OXTR (0.58) OXTRAVPR1BAVPR1AAVPR2
SCHEMBL17326848 0.88 OXTR (0.58) OXTRAVPR1BAVPR1AAVPR2

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-20170081368-A1 PEPTIDES AS OXYTOCIN AGONISTS HOFFMANN-LA ROCHE INC. (US) 2017-03-23 — — 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-20170081368-A1 PEPTIDES AS OXYTOCIN AGONISTS OXTR, AVPR1B, AVPR1A OXTR 1/4885AVPR1B 2/4885AVPR1A 3/4885

“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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