SCHEMBL12755293

SCHEMBL12755293

CC(C)[C@H](C)C(=O)N1CCC[C@H]1C(=O)NCc1ccc2[nH]c([C@@H]3CCCN3C(=O)[C@@H](C)C(C)C)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRCP P42785 4/20 0.44
F2 P00734 5/20 0.43
F11 P03951 2/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL10120621 0.85 PRCP (0.47) PRCP
SCHEMBL888956 0.84 PRCP (0.44) PRCP
SCHEMBL12772551 0.81 CYP3A4 (0.48) CYP3A4CYP2C9
SCHEMBL11924847 0.81 PRCP (0.49) PRCPCYP3A4CYP2C9
SCHEMBL12565507 0.79 PRCP (0.47) PRCPCYP3A4CYP2C9
SCHEMBL10092494 0.78 CYP3A4 (0.58) CYP3A4CYP2C9
SCHEMBL18775081 0.77 PRCP (0.44) PRCP
SCHEMBL15887523 0.77 PRCP (0.49) PRCP
SCHEMBL12771334 0.77 CYP3A4 (0.51) CYP3A4CYP2C9
SCHEMBL12247850 0.75 CYP3A4 (0.59) CYP3A4CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815928-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-08-26 US disclosed
US-20110070197-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-24 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-20110070197-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 PRCP 289/4885F2 2572/4885F11 1981/4885

“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.