SCHEMBL889125

SCHEMBL889125

CC(C)[C@H](C)C(=O)N1CCC[C@H]1CNc1ncc2cc(C#Cc3ccc4[nH]c([C@@H]5CCCN5C(=O)[C@@H](C)C(C)C)nc4c3)ccc2n1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36

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
SCHEMBL889118 0.88 PRCP (0.39) PRCPHCRTR1HCRTR2
SCHEMBL888954 0.86 PRMT5 (0.42) PRCPHCRTR1HCRTR2
SCHEMBL889124 0.78 BRAF (0.38) PRCPHCRTR1HCRTR2
SCHEMBL18775081 0.77 PRCP (0.44) PRCPHCRTR1HCRTR2
SCHEMBL888956 0.77 PRCP (0.44) PRCP
SCHEMBL1851968 0.77 PRCP (0.47) PRCPHCRTR1HCRTR2
SCHEMBL2777598 0.77 PRCP (0.47) PRCPHCRTR1HCRTR2
SCHEMBL889010 0.76 CYP3A4 (0.53) PRCP
SCHEMBL12810167 0.76 PRMT5 (0.45) PRCPHCRTR1HCRTR2
SCHEMBL12565509 0.75 PRCP (0.42) PRCPHCRTR1HCRTR2

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-20110064697-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 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-20110064697-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 PRCP 289/4885HCRTR1 3277/4885HCRTR2 4149/4885

“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.