SCHEMBL888963

SCHEMBL888963

CC(C)C#Cc1ccc(C(C)C)nc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
CYP1A2 P05177 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
HAO1 Q9UJM8 1/20 0.32
GRM5 P41594 2/20 0.32
CHRM2 P08172 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
TLR7 Q9NYK1 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
CHRNA7 P36544 1/20 0.31

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
SCHEMBL15384097 0.80 EGLN1 (0.39) EGLN1EGLN3CYP1A2CYP2E1CYP2A6
SCHEMBL23250806 0.79 GRM5 (0.50) GRM5
SCHEMBL15119361 0.78 CYP1A2 (0.53) EGLN1EGLN3CYP1A2CYP2E1CYP2A6
SCHEMBL10131245 0.77 MTOR (0.43)
SCHEMBL2737290 0.76 ALDH1A1 (0.46) CYP2A6GRM5
SCHEMBL2738306 0.76 HDAC8 (0.33) GRM5CHRNA7
SCHEMBL19116223 0.75 APP (0.49) CYP2C19GRM5CHRM2SIGMAR1KMT2A
SCHEMBL17616434 0.74 GRM5 (0.51) CYP2A6HAO1GRM5
SCHEMBL888887 0.74 EGLN1 (0.37) EGLN1EGLN3TLR7
SCHEMBL15119357 0.73 TRPV4 (0.44) EGLN1EGLN3

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-8759332-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-06-24 US disclosed
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 EGLN1 2374/4885EGLN3 1529/4885CYP1A2 205/4885

“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.