SCHEMBL4129495

SCHEMBL4129495

COc1ccn(CCC(C)(C)C)c(=O)c1C#N

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
MAPT P10636 1/20 0.60
CYP2C9 P11712 1/20 0.60
GRM2 Q14416 17/20 0.47
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL1828147 0.82 LMNA (0.61) LMNAMAPTCYP2C9GRM2
SCHEMBL1828011 0.81 LMNA (0.57) LMNAMAPTCYP2C9GRM2
SCHEMBL27199572 0.81 LMNA (0.64) LMNAMAPTCYP2C9GRM2KDM4E
SCHEMBL171728 0.81 GRM2 (0.69) LMNAMAPTCYP2C9GRM2
SCHEMBL4131086 0.80 GRM2 (0.42) GRM2KDM4EALDH1A1MAPK1
SCHEMBL27199458 0.80 LMNA (0.59) LMNAMAPTCYP2C9GRM2KDM4E
SCHEMBL10460796 0.80 LMNA (0.62) LMNAMAPTCYP2C9GRM2KDM4E
SCHEMBL16332029 0.77 LMNA (0.59) LMNAMAPTCYP2C9GRM2KDM4E
SCHEMBL171630 0.76 MAPT (0.55) LMNAMAPTCYP2C9GRM2KDM4E
Ricinine SCHEMBL257955 0.76 MAPT (1.00) LMNAMAPTCYP2C9GRM2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009032177-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS I AND II IDENIX PHARMACEUTICALS, INC. (US) 2009-03-12 WO disclosed
US-20090060866-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS I AND II IDENIX PHARMACEUTICALS, INC. (US) 2009-03-05 US disclosed
US-20090060866-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS I AND II IDENIX PHARMACEUTICALS, INC. (US) 2009-03-05 US disclosed
US-20090060866-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS I AND II IDENIX PHARMACEUTICALS, INC. (US) 2009-03-05 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-20090060866-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS I AND II POLR2E, POLR2H, POLR2A LMNA 3922/4885MAPT 4141/4885CYP2C9 2562/4885

“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.