SCHEMBL31296842

SCHEMBL31296842

C[C@@H](OC(C)(C)C)[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](COC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 9/20 0.41
▸ CCKAR P32238 7/20 0.41
▸ OPRD1 P41143 8/20 0.40
▸ OPRM1 P35372 4/20 0.40
▸ OPRK1 P41145 4/20 0.40
▸ PSEN1 P49768 4/20 0.39
▸ PSEN2 P49810 4/20 0.39
▸ APH1B Q8WW43 4/20 0.39
▸ NCSTN Q92542 4/20 0.39
▸ APH1A Q96BI3 4/20 0.39
▸ PSENEN Q9NZ42 4/20 0.39
▸ ABCB1 P08183 1/20 0.38
▸ AMY2A P04746 2/20 0.38

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
SCHEMBL31247969 0.97 ABCB1 (0.40) CCKBRCCKAROPRD1OPRM1OPRK1
SCHEMBL31247896 0.96 PSEN1 (0.40) CCKBRCCKAROPRD1OPRM1OPRK1
SCHEMBL31247966 0.95 OPRM1 (0.40) CCKBRCCKAROPRD1OPRM1OPRK1
SCHEMBL31247960 0.95 OPRD1 (0.40) CCKBRCCKAROPRD1OPRM1OPRK1
SCHEMBL38652065 0.92 PSEN1 (0.43) CCKBRCCKAROPRD1OPRM1OPRK1
SCHEMBL30892072 0.92 PSEN1 (0.42) OPRD1OPRM1OPRK1PSEN1PSEN2
SCHEMBL30930720 0.92 ACE (0.42) CCKBRCCKARPSEN1PSEN2APH1B
SCHEMBL31501260 0.91 ABCB1 (0.41) CCKBRCCKAROPRD1OPRM1OPRK1
SCHEMBL31522801 0.91 ABCB1 (0.39) CCKBRCCKAROPRD1ABCB1AMY2A
SCHEMBL31522796 0.90 PSMB1 (0.38) CCKBRCCKARPSEN1PSEN2APH1B

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
CN-119874492-A Novel method for synthesizing teicoplanin fragment 九洲药业(杭州)有限公司 2025-04-25 — — CN disclosed
US-20240424063-A1 LONG ACTING GLP-1/GIP DUAL AGONISTS SUN PHARMACEUTICAL IND LTD (IN) 2024-12-26 — — 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-20240424063-A1 LONG ACTING GLP-1/GIP DUAL AGONISTS GLP1R, GIPR, GPR119 CCKBR 42/4885CCKAR 34/4885OPRD1 923/4885

“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.

Send feedback