SCHEMBL14930639

SCHEMBL14930639

COC(=O)N1CCCC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
CYP1A2 P05177 3/20 0.39
CYP2C9 P11712 3/20 0.39
MAPK1 P28482 1/20 0.39
CYP2D6 P10635 2/20 0.37
ALDH1A1 P00352 2/20 0.37
JAK3 P52333 1/20 0.36
CYP3A4 P08684 3/20 0.35
CNR2 P34972 2/20 0.35
TSHR P16473 4/20 0.34
CYP2C19 P33261 3/20 0.34
HIF1A Q16665 1/20 0.33
NFKB1 P19838 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL7435072 0.80 TSHR (0.39) ALDH1A1CNR2TSHR
SCHEMBL10202118 0.80 USP2 (0.40) USP2CYP1A2CYP2C9MAPK1CYP2D6
SCHEMBL12193293 0.80 CNR2 (0.33) USP2CYP1A2CYP2C9CNR2TSHR
SCHEMBL2683916 0.79 USP2 (0.39) USP2CYP1A2CYP2C9MAPK1CYP2D6
SCHEMBL14932818 0.79 TSHR (0.34) CYP1A2CYP2C9CYP2D6ALDH1A1CNR2
SCHEMBL15116477 0.79 USP2 (0.39) USP2CYP1A2CYP2C9MAPK1CYP2D6
SCHEMBL475482 0.79 GRIN2B (0.44) USP2JAK3HSD17B10
SCHEMBL4728514 0.77 USP2 (0.38) USP2CYP1A2CYP2C9MAPK1CYP2D6
SCHEMBL10202326 0.77 USP2 (0.38) USP2CYP1A2CYP2C9MAPK1CYP2D6
SCHEMBL4743121 0.77 CYP1A2 (0.41) USP2CYP1A2CYP2C9MAPK1CYP2D6

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
WO-2013067267-A1 ROD -LIKE HEPATITIS C VIRUS INHIBITORS CONTAINING THE FRAGEMENT {2- [4- (BI PHENYL - 4 - YL) - 1H - IMIDAZO - 2 - YL] PYRROLIDINE - 1 - CARBONLYMETHYL} AMINE THERAVANCE, INC. (US) 2013-05-10 WO disclosed
US-20130115194-A1 HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC 2013-05-09 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-20130115194-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, HDGF USP2 3770/4885CYP1A2 275/4885CYP2C9 197/4885

“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.