SCHEMBL29880362

SCHEMBL29880362

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 5/20 0.53
▸ GRB2 P62993 1/20 0.47
▸ BACE1 P56817 2/20 0.47
▸ ACE P12821 2/20 0.47
▸ OXTR P30559 1/20 0.46
▸ NPY1R P25929 1/20 0.45
▸ NPY2R P49146 1/20 0.45
▸ NPY4R P50391 1/20 0.45
▸ NPY5R Q15761 1/20 0.45
▸ BACE2 Q9Y5Z0 1/20 0.45

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
SCHEMBL14060524 0.94 BACE1 (0.52) KISS1RBACE1ACENPY1RNPY2R
SCHEMBL30546676 0.92 BACE1 (0.51) KISS1RBACE1ACENPY1RNPY2R
SCHEMBL29624265 0.89 KISS1R (0.52) KISS1RGRB2BACE1ACE
SCHEMBL31556395 0.89 ACE (0.53) KISS1RBACE1ACENPY1RNPY2R
SCHEMBL30433557 0.86 KISS1R (0.54) KISS1RBACE1NPY1RNPY2RNPY4R
SCHEMBL31556390 0.85 NTSR1 (0.56) OXTRNPY1RNPY2RNPY4RNPY5R
SCHEMBL29413128 0.85 KISS1R (0.51) KISS1RGRB2BACE1OXTR
SCHEMBL29496659 0.85 NTSR1 (0.56) OXTRNPY1RNPY2RNPY4RNPY5R
SCHEMBL31278149 0.84 ACE (0.53) BACE1ACEBACE2
SCHEMBL31690551 0.84 KISS1R (0.56) KISS1RBACE1BACE2

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-11414459-B2 Metabolite inspired selective oxytocin receptor agonists Kinoxis Therapeutics Pty Ltd (AU) 2022-08-16 — — 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-11414459-B2 Metabolite inspired selective oxytocin receptor agonists OXTR, AVPR2, AVPR1A KISS1R 20/4885GRB2 1169/4885BACE1 2301/4885

“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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