SCHEMBL4730736

SCHEMBL4730736

CC(C)(C)[C@]1(C)CCCN1C(=O)NC1CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 3/20 0.37
ALDH1A1 P00352 2/20 0.36
EPHX1 P07099 1/20 0.35
EPHX2 P34913 3/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL4730686 0.80 POLB (0.38) POLB
SCHEMBL4727344 0.80 POLB (0.38) POLB
SCHEMBL4730461 0.79 LMNA (0.37) ALDH1A1SMN1; SMN2LMNA
SCHEMBL4730445 0.78 CYP1A2 (0.40) ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL10202110 0.76 HTT (0.39) HTTPOLBALDH1A1EPHX2KDM4E
SCHEMBL4730026 0.76 HPGD (0.37) GAAHTTALDH1A1LMNA
SCHEMBL4729987 0.76 HPGD (0.37) GAAHTTALDH1A1LMNA
SCHEMBL4741427 0.75 HTT (0.38) GAAHTTPOLBALDH1A1EPHX2
SCHEMBL4729530 0.74 CYP3A4 (0.32)
SCHEMBL4728395 0.74 CYP3A4 (0.32)

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-9260414-B2 Inhibitors of hepatitic C virus THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-02-16 US disclosed
US-9260414-B2 Inhibitors of hepatitic C virus THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-02-16 US disclosed
US-20150071878-A1 NOVEL INHIBITORS OF HEPATITIC C VIRUS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-03-12 US disclosed
US-20150071878-A1 NOVEL INHIBITORS OF HEPATITIC C VIRUS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-03-12 US disclosed
US-20120114600-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS THERAVANCE, INC. (US) 2012-05-10 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 (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-20150071878-A1 NOVEL INHIBITORS OF HEPATITIC C VIRUS HAVCR2, SLC10A1, HDGF MEN1 3635/4885GAA 1708/4885KMT2A 4426/4885
US-20120114600-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, ZC3HAV1 MEN1 4415/4885GAA 796/4885KMT2A 3825/4885

“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.