SCHEMBL13554453

SCHEMBL13554453

C[C@@H]1C(=O)N[C@H](Cc2ccc(C(=N)N)cc2)C(=O)NCCCc2ccc(F)cc2OCCNCC(=O)N1C

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 20/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63

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
SCHEMBL9882946 0.89 GHSR (0.67) GHSRCYP3A4CYP2D6
SCHEMBL13552236 0.89 GHSR (0.71) GHSRCYP3A4CYP2D6
SCHEMBL6875235 0.87 GHSR (0.69) GHSRCYP3A4CYP2D6
SCHEMBL13554447 0.87 GHSR (0.69) GHSRCYP3A4CYP2D6
SCHEMBL6875326 0.86 GHSR (0.85) GHSRCYP3A4CYP2D6
SCHEMBL13552230 0.86 GHSR (0.85) GHSRCYP3A4CYP2D6
SCHEMBL6878908 0.86 GHSR (0.85) GHSRCYP3A4CYP2D6
SCHEMBL6876644 0.86 GHSR (0.85) GHSRCYP3A4CYP2D6
SCHEMBL13552232 0.86 GHSR (0.85) GHSRCYP3A4CYP2D6
SCHEMBL13554429 0.86 GHSR (0.67) GHSRCYP3A4CYP2D6

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-20120270807-A1 MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES TRANZYME PHARMA INC. (CA) 2012-10-25 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-20120270807-A1 MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES PRSS1, SPINT2, SERPINB1 GHSR 4071/4885CYP3A4 915/4885CYP2D6 1428/4885

“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.