SCHEMBL13613244

SCHEMBL13613244

CC(C)(C)OC(=O)C1[C@H]2CCC(C2)N1C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 6/20 0.50
PREP P48147 2/20 0.46
HTR2C P28335 1/20 0.46
CTSL P07711 1/20 0.43
TACR3 P29371 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HTRA1 Q92743 1/20 0.42
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL13613246 0.86 HTR2C (0.48) AGTR2HTR2CTACR3SMN1; SMN2NPC1
SCHEMBL7646821 0.85 AGTR2 (0.54) AGTR2PREPHTR2CTACR3SMN1; SMN2
SCHEMBL12798144 0.85 AGTR2 (0.54) AGTR2PREPHTR2CTACR3SMN1; SMN2
SCHEMBL8351858 0.85 AGTR2 (0.54) AGTR2PREPHTR2CTACR3SMN1; SMN2
SCHEMBL16276273 0.83 HTR2C (0.49) AGTR2PREPHTR2CTACR3SMN1; SMN2
SCHEMBL992815 0.82 HTRA1 (0.46) AGTR2PREPHTR2CCTSLTACR3
SCHEMBL31107783 0.81 HTR2C (0.54) AGTR2HTR2CCTSLSMN1; SMN2NPC1
SCHEMBL13910588 0.81 TACR3 (0.47) AGTR2PREPHTR2CTACR3SMN1; SMN2
SCHEMBL992816 0.80 AGTR2 (0.41) AGTR2PREPHTR2CCTSLTACR3
SCHEMBL8288906 0.80 HTRA1 (0.45) AGTR2PREPHTR2CCTSLTACR3

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-8426359-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-23 US disclosed
US-20090291902-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-26 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-20090291902-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 AGTR2 3306/4885PREP 7/4885HTR2C 2850/4885

“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.