SCHEMBL16790726

SCHEMBL16790726

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(C)=O)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O

nearest known ligand 0.86

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 12/20 0.86
▸ AVPR1A P37288 6/20 0.86
▸ AVPR2 P30518 5/20 0.86
▸ AVPR1B P47901 5/20 0.86

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
SCHEMBL19441348 0.95 OXTR (0.79) OXTRAVPR1AAVPR2AVPR1B
SCHEMBL15511260 0.94 OXTR (0.80) OXTRAVPR1AAVPR2AVPR1B
SCHEMBL15512016 0.93 OXTR (0.82) OXTRAVPR1AAVPR2AVPR1B
Oxytocin SCHEMBL29048 0.93 OXTR (1.00) OXTRAVPR1AAVPR2AVPR1B
Oxytocin SCHEMBL20707334 0.93 OXTR (1.00) OXTRAVPR1AAVPR2AVPR1B
Oxytocin SCHEMBL16373316 0.93 OXTR (1.00) OXTRAVPR1AAVPR2AVPR1B
Oxytocin SCHEMBL8370159 0.93 OXTR (1.00) OXTRAVPR1AAVPR2AVPR1B
Oxytocin SCHEMBL21527573 0.93 OXTR (1.00) OXTRAVPR1AAVPR2AVPR1B
Oxytocin SCHEMBL1173243 0.93 OXTR (1.00) OXTRAVPR1AAVPR2AVPR1B
Oxytocin SCHEMBL14085374 0.93 OXTR (1.00) OXTRAVPR1AAVPR2AVPR1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9783571-B2 Isolation of cysteine containing peptides MARTIN WARHAM LANCE (US) 2017-10-10 — — US disclosed
US-20150158905-A1 Isolation of Cysteine Containing Peptides MARTIN WARHAM LANCE (US) 2015-06-11 — — 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-20150158905-A1 Isolation of Cysteine Containing Peptides LNPEP, CSTB, CPB1 OXTR 1400/4885AVPR1A 2627/4885AVPR2 1255/4885

“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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