SCHEMBL6875202

SCHEMBL6875202

C[C@@H]1C(=O)N[C@H](Cc2ccc(C#N)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 20/20 1.00
CYP3A4 P08684 1/20 0.71
CYP2D6 P10635 1/20 0.71

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
SCHEMBL6875693 0.98 GHSR (0.96) GHSRCYP3A4CYP2D6
SCHEMBL13788309 0.92 GHSR (0.90) GHSRCYP3A4CYP2D6
SCHEMBL806190 0.92 GHSR (1.00) GHSRCYP3A4CYP2D6
SCHEMBL804621 0.91 GHSR (1.00) GHSR
SCHEMBL14011152 0.91 GHSR (1.00) GHSRCYP3A4CYP2D6
SCHEMBL805021 0.89 GHSR (1.00) GHSRCYP3A4CYP2D6
SCHEMBL6873038 0.89 GHSR (0.86) GHSRCYP3A4CYP2D6
SCHEMBL804623 0.88 GHSR (1.00) GHSR
SCHEMBL6875340 0.88 GHSR (0.82) GHSRCYP3A4CYP2D6
SCHEMBL806069 0.87 GHSR (0.89) GHSR

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 5 patents. 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
US-20120270769-A1 METHODS OF USING MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES TRANZYME PHARMA INC. (CA) 2012-10-25 US disclosed
US-20120270769-A1 METHODS OF USING MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES TRANZYME PHARMA INC. (CA) 2012-10-25 US disclosed
US-20120270807-A1 MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES TRANZYME PHARMA INC. (CA) 2012-10-25 US disclosed
WO-2011050270-A2 MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES TRANZYME PHARMA, INC. (US) 2011-04-28 WO 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 (2 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-20120270769-A1 METHODS OF USING MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES PRSS1, SPINT2, TMPRSS15 GHSR 4321/4885CYP3A4 810/4885CYP2D6 1394/4885
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.