SCHEMBL18465137

SCHEMBL18465137

CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 8/20 0.43
▸ NPY1R P25929 7/20 0.43
▸ NPY5R Q15761 7/20 0.43
▸ NPY2R P49146 4/20 0.43
▸ HDAC2 Q92769 1/20 0.38
▸ C3AR1 Q16581 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ FOLH1 Q04609 1/20 0.36
▸ ERAP1 Q9NZ08 1/20 0.36
▸ LNPEP Q9UIQ6 1/20 0.36
▸ POLB P06746 1/20 0.35

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
SCHEMBL26017775 0.90 KMT2A (0.47) NPY4RNPY1RNPY5RNPY2RC3AR1
SCHEMBL27846680 0.87 NPY4R (0.42) NPY4RNPY1RNPY5RNPY2RHDAC2
SCHEMBL9207685 0.86 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2RHDAC2
SCHEMBL9207694 0.86 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2RHDAC2
Hydrochloric Acid SCHEMBL8830966 0.85 NOD1 (0.48) NPY4RNPY1RNPY5RNPY2RHDAC2
SCHEMBL18796580 0.85 NOD1 (0.51) NPY4RNPY1RNPY5RNPY2RKMT2A
SCHEMBL18991155 0.85 NOD1 (0.51) NPY4RNPY1RNPY5RNPY2RKMT2A
SCHEMBL28263952 0.85 NOD1 (0.51) NPY4RNPY1RNPY5RNPY2RKMT2A
SCHEMBL1541966 0.85 NOD1 (0.51) NPY4RNPY1RNPY5RNPY2RKMT2A
SCHEMBL27805202 0.85 NOD1 (0.51) NPY4RNPY1RNPY5RNPY2RKMT2A

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-20170029381-A1 TETRAHYDRO-BENZOIMIDAZOLYL MODULATORS OF TGR5 JANSSEN PHARMACEUTICA NV (BE) 2017-02-02 — — 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-20170029381-A1 TETRAHYDRO-BENZOIMIDAZOLYL MODULATORS OF TGR5 GLRA1, GRM5, TRHR NPY4R 34/4885NPY1R 21/4885NPY5R 4/4885

“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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