SCHEMBL23895409

SCHEMBL23895409

CC[C@H](C)[C@H](NC(=O)[C@H](N)CCCNC(=N)N)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC[S+](C)[O-])C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(=O)N[C@@H](COP(=O)(O)O)C(=O)NCC(C)=O)/C(C)=C/CNC(=N)N)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.45
▸ GLP1R P43220 17/20 0.42
▸ VIPR1 P32241 1/20 0.40
▸ RAMP1 O60894 1/20 0.40
▸ RAMP2 O60895 1/20 0.40
▸ RAMP3 O60896 1/20 0.40
▸ CALCR P30988 1/20 0.40
▸ CALCRL Q16602 1/20 0.40

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
SCHEMBL23895415 0.92 C5AR1 (0.47) C5AR1GLP1R
SCHEMBL23895425 0.90 C5AR1 (0.45) C5AR1GLP1R
SCHEMBL23895427 0.90 C5AR1 (0.45) C5AR1GLP1R
SCHEMBL19221754 0.86 C5AR1 (0.56) C5AR1GLP1RRAMP1RAMP2RAMP3
SCHEMBL18888799 0.84 C5AR1 (0.60) C5AR1GLP1RRAMP1RAMP2RAMP3
SCHEMBL23895419 0.83 C5AR1 (0.47) C5AR1GLP1RVIPR1CALCR
SCHEMBL18888801 0.81 C5AR1 (0.60) C5AR1GLP1RRAMP1RAMP2RAMP3
SCHEMBL19221849 0.80 C5AR1 (0.56) C5AR1GLP1RRAMP1RAMP2RAMP3
SCHEMBL19221756 0.79 C5AR1 (0.52) C5AR1GLP1RRAMP1RAMP2RAMP3
SCHEMBL18888496 0.79 C5AR1 (0.58) C5AR1GLP1RRAMP1RAMP2RAMP3

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-20210308211-A1 METHOD OF TREATING VIRAL INFECTIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2021-10-07 — — 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-20210308211-A1 METHOD OF TREATING VIRAL INFECTIONS IRF3, IRF2BP2, STAT4 C5AR1 1292/4885GLP1R 3844/4885VIPR1 135/4885

“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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