SCHEMBL23330903

SCHEMBL23330903

CCC(C)[C@H](NC(=O)[C@H](CCN)NC(=O)C(N)CC1CCCCC1)C(=O)N[C@@H](CCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCN)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 5/20 0.51
▸ OPRD1 P41143 4/20 0.47
▸ OPRK1 P41145 3/20 0.47
▸ OPRM1 P35372 2/20 0.47
▸ NTSR2 O95665 1/20 0.45
▸ NTSR1 P30989 1/20 0.45
▸ CTSD P07339 3/20 0.45
▸ BACE1 P56817 1/20 0.44
▸ REN P00797 1/20 0.44

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
SCHEMBL23330996 1.00 KISS1R (0.51) KISS1ROPRD1OPRK1OPRM1NTSR2
SCHEMBL23331150 0.98 KISS1R (0.49) KISS1ROPRD1OPRK1OPRM1CTSD
SCHEMBL23331575 0.97 KISS1R (0.48) KISS1ROPRD1OPRK1OPRM1NTSR2
SCHEMBL23331567 0.95 CTSD (0.50) KISS1ROPRK1CTSDBACE1
SCHEMBL23331151 0.94 KISS1R (0.51) KISS1ROPRD1OPRK1OPRM1BACE1
SCHEMBL24519284 0.90 KISS1R (0.55) KISS1ROPRK1REN
SCHEMBL23330898 0.90 OPRD1 (0.52) KISS1ROPRD1OPRK1OPRM1
SCHEMBL23331377 0.88 KISS1R (0.57) KISS1ROPRD1OPRK1OPRM1CTSD
SCHEMBL23331247 0.88 KISS1R (0.55) KISS1ROPRK1REN
SCHEMBL23331572 0.85 CTSD (0.55) KISS1RCTSDBACE1

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-11364275-B2 Linear lipopeptide paenipeptins and methods of using the same BIOVENTURES, LLC (US) 2022-06-21 — — US disclosed
US-20210128669-A1 LINEAR LIPOPEPTIDE PAENIPEPTINS AND METHODS OF USING THE SAME BIOVENTURES, LLC (US) 2021-05-06 — — 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 (2 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-11364275-B2 Linear lipopeptide paenipeptins and methods of using the same NGLY1, VIP, CLPTM1 KISS1R 1143/4885OPRD1 3528/4885OPRK1 3994/4885
US-20210128669-A1 LINEAR LIPOPEPTIDE PAENIPEPTINS AND METHODS OF USING THE SAME NGLY1, VIP, CLPTM1 KISS1R 1143/4885OPRD1 3528/4885OPRK1 3994/4885

“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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