SCHEMBL890224

SCHEMBL890224

C=C(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1c1ncc(-c2ccc(-c3ccc4[nH]c([C@@H]5[C@H]6CC[C@H](C6)N5C(=O)OC(C)(C)C)nc4c3)cc2)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.36
SSTR3 P32745 1/20 0.35
PREP P48147 2/20 0.33
GPR119 Q8TDV5 5/20 0.32
JAK1 P23458 2/20 0.32
PRCP P42785 3/20 0.32
CHEK2 O96017 1/20 0.31
NR1I2 O75469 1/20 0.31
ABCB11 O95342 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
OPRK1 P41145 1/20 0.31
KCNH2 Q12809 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2B P41595 1/20 0.30

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
SCHEMBL890182 0.94 HPGDS (0.40) HPGDSSSTR3PREPGPR119JAK1
SCHEMBL889393 0.86 HPGDS (0.37) HPGDSSSTR3PREPGPR119PRCP
SCHEMBL12999459 0.84 HPGDS (0.47) HPGDSSSTR3PREPGPR119PRCP
SCHEMBL202934 0.84 HPGDS (0.47) HPGDSSSTR3PREPGPR119PRCP
SCHEMBL18462760 0.84 HPGDS (0.47) HPGDSSSTR3PREPGPR119PRCP
SCHEMBL890225 0.83 CYP3A4 (0.42) HPGDSPRCPNR1I2ABCB11CYP3A4
SCHEMBL890163 0.82 CYP3A4 (0.45) HPGDSPRCPNR1I2ABCB11CYP3A4
SCHEMBL203272 0.81 HPGDS (0.44) HPGDSSSTR3PREPGPR119PRCP
SCHEMBL2708612 0.81 HPGDS (0.44) HPGDSSSTR3PREPGPR119PRCP
SCHEMBL15405790 0.81 HPGDS (0.44) HPGDSSSTR3PREPGPR119PRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110064698-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-20110064698-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 HPGDS 2568/4885SSTR3 3284/4885PREP 519/4885

“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.