SCHEMBL14008026

SCHEMBL14008026

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

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 15/20 0.73
▸ AVPR1A P37288 2/20 0.73
▸ AVPR2 P30518 1/20 0.73
▸ AVPR1B P47901 1/20 0.73

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
SCHEMBL22333508 0.93 OXTR (0.77) OXTRAVPR1AAVPR2AVPR1B
SCHEMBL22333507 0.87 OXTR (0.89) OXTRAVPR1AAVPR2AVPR1B
SCHEMBL14060519 0.87 OXTR (0.70) OXTRAVPR1AAVPR2AVPR1B
SCHEMBL324626 0.87 OXTR (0.70) OXTRAVPR1AAVPR2AVPR1B
SCHEMBL13827825 0.87 OXTR (0.70) OXTRAVPR1AAVPR2AVPR1B
SCHEMBL15510980 0.87 OXTR (0.70) OXTRAVPR1AAVPR2AVPR1B
SCHEMBL15511961 0.86 OXTR (0.88) OXTRAVPR1AAVPR2AVPR1B
SCHEMBL22333528 0.86 OXTR (0.68) OXTRAVPR1AAVPR2AVPR1B
SCHEMBL15512310 0.85 OXTR (0.86) OXTRAVPR1AAVPR2AVPR1B
SCHEMBL31423752 0.85 OXTR (0.86) 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-20080275026-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. 2008-11-06 — — US disclosed
US-20080275026-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. 2008-11-06 — — 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-20080275026-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists AVPR1A, AVPR2, AVPR1B OXTR 4/4885AVPR1A 1/4885AVPR2 2/4885

“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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