SCHEMBL29561936

SCHEMBL29561936

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 5/20 0.64
▸ NMUR1 Q9HB89 5/20 0.64
▸ RAMP3 O60896 3/20 0.61
▸ CALCR P30988 3/20 0.61
▸ EPHA2 P29317 2/20 0.60
▸ NPY2R P49146 5/20 0.58
▸ NPY4R P50391 5/20 0.58
▸ NPY5R Q15761 5/20 0.58
▸ NPY1R P25929 4/20 0.58
▸ TFPI P10646 3/20 0.58
▸ CXCR4 P61073 1/20 0.58

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
SCHEMBL31182912 0.91 NPY2R (0.66) NMUR2NMUR1CALCRNPY2RNPY4R
SCHEMBL31754009 0.91 MAPK8 (0.65) NMUR2NMUR1RAMP3CALCRNPY2R
SCHEMBL31182904 0.90 NMUR2 (0.65) NMUR2NMUR1RAMP3CALCRNPY2R
SCHEMBL31182739 0.90 NMUR2 (0.61) NMUR2NMUR1RAMP3CALCRNPY2R
SCHEMBL29562124 0.89 NPY2R (0.67) NMUR2NMUR1RAMP3CALCRNPY2R
SCHEMBL30335630 0.89 NMUR2 (0.64) NMUR2NMUR1RAMP3CALCREPHA2
SCHEMBL29939144 0.89 NPY2R (0.58) NMUR2NMUR1RAMP3CALCRNPY2R
SCHEMBL30495721 0.88 NPY2R (0.65) RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL29632841 0.88 TFPI (0.64) NMUR2NMUR1RAMP3CALCREPHA2
SCHEMBL29430214 0.87 MAPK8 (0.61) NMUR2NMUR1RAMP3CALCRNPY2R

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-12509696-B2 Methods and composition for transferring T-DNA into a plant PURDUE RESEARCH FOUNDATION (US) 2025-12-30 — — US disclosed
US-20220112510-A1 METHODS AND COMPOSITION FOR TRANSFERRING T-DNA INTO A PLANT PURDUE RESEARCH FOUNDATION (US) 2022-04-14 — — 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-12509696-B2 Methods and composition for transferring T-DNA into a plant AMPD2, MYB, TOMM22 NMUR2 2942/4885NMUR1 4153/4885RAMP3 3514/4885

“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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