SCHEMBL20133406

SCHEMBL20133406

C[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCC(=O)NCC(N)=O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 12/20 0.34
▸ NPY1R P25929 9/20 0.34
▸ NPY5R Q15761 8/20 0.34
▸ NPY2R P49146 5/20 0.34
▸ ALOX15 P16050 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ ITGB3 P05106 1/20 0.31
▸ ITGA2B P08514 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL22807623 0.84 CNR1 (0.33) CNR1ITGB3ITGA2B
SCHEMBL21782662 0.80 DPP7 (0.41) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL21782696 0.79 GNAI3 (0.41) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL27354286 0.79 ALOX15 (0.37) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL4798412 0.77 DPP7 (0.47) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL4798434 0.77 DPP7 (0.47) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL21782715 0.77 DPP7 (0.39) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL20169777 0.77 DPP7 (0.51) CNR1
SCHEMBL8297085 0.76 ALOX15 (0.40) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL13402408 0.76 ALOX15 (0.40) NPY4RNPY1RNPY5RNPY2RALOX15

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-20180126013-A1 RADIOTHERAPEUTIC AND COMPANION IMAGING AGENTS TO TARGET MC1R WAKE FOREST UNIVERSITY 2018-05-10 — — 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-20180126013-A1 RADIOTHERAPEUTIC AND COMPANION IMAGING AGENTS TO TARGET MC1R MC1R, MC3R, MC5R NPY4R 143/4885NPY1R 24/4885NPY5R 79/4885

“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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