SCHEMBL10140889

SCHEMBL10140889

CCCCCN1CC(COCC(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.42
EBP Q15125 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
GLB1 P16278 1/20 0.37
GBA1 P04062 2/20 0.36
GBA2 Q9HCG7 4/20 0.34
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL18948555 0.95 GLB1 (0.42) GUSBEBPSIGMAR1GLB1GBA1
SCHEMBL10118772 0.88 GBA1 (0.37) GBA1
SCHEMBL10141918 0.88 GBA1 (0.33) GBA1ALDH1A1
SCHEMBL10118824 0.82 GBA1 (0.30) GBA1
SCHEMBL12231923 0.82 GUSB (0.47) GUSBEBPSIGMAR1GLB1GBA1
SCHEMBL10154829 0.80 CHRM2 (0.33)
SCHEMBL12231806 0.78 GBA1 (0.37) GUSBEBPSIGMAR1GLB1GBA1
SCHEMBL10121287 0.77 PIK3CD (0.42)
SCHEMBL27284198 0.76 CHRM2 (0.30)
SCHEMBL24379939 0.75 ALDH1A1 (0.40) EBPSIGMAR1ALDH1A1

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-20120039848-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-10-13 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-20110250172-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 GUSB 329/4885EBP 562/4885SIGMAR1 1216/4885
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 GUSB 329/4885EBP 562/4885SIGMAR1 1216/4885

“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.