SCHEMBL5211646

SCHEMBL5211646

CC(C)C[C@@]1(C(=O)O)C[C@H](c2cnccn2)[C@H](c2ccccc2)N1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
PSMB5 P28074 7/20 0.32
PSMB1 P20618 5/20 0.32
PSMB2 P49721 5/20 0.32
PSMB11 A5LHX3 4/20 0.32
PSMA7 O14818 4/20 0.32
PSMA1 P25786 4/20 0.32
PSMA2 P25787 4/20 0.32
PSMA3 P25788 4/20 0.32
PSMA4 P25789 4/20 0.32
PSMB8 P28062 4/20 0.32
PSMB9 P28065 4/20 0.32
PSMA5 P28066 4/20 0.32
PSMB4 P28070 4/20 0.32
PSMB6 P28072 4/20 0.32
PSMB10 P40306 4/20 0.32
PSMB3 P49720 4/20 0.32
PSMA6 P60900 4/20 0.32
PSMA8 Q8TAA3 4/20 0.32

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
SCHEMBL6619541 1.00 RAB9A (0.33) RAB9ANPC1PSMB5PSMB1PSMB2
SCHEMBL5212107 0.94 KDM4E (0.37) RAB9ALMNATSHRGAACYP1A2
SCHEMBL5215434 0.92 GPR88 (0.33) RAB9ANPC1PSMB5TSHRSCD5
SCHEMBL5215066 0.89 GPR88 (0.33) GAAGPR88CYP3A4ALDH1A1MAPT
SCHEMBL14443145 0.88 GPR119 (0.32) RAB9ANPC1LMNATSHR
SCHEMBL5215885 0.85 ADORA2B (0.33) LMNATSHRGPR88ALDH1A1
SCHEMBL5213331 0.85 LMNA (0.32) LMNAGPR88CYP2D6
SCHEMBL5214156 0.84 MAPT (0.36) RAB9ANPC1LMNAGAATHRB
SCHEMBL5641473 0.83 SMN1; SMN2 (0.36) RAB9ANPC1TP53CCR5HTT
SCHEMBL6631345 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7259163-B2 4-(6-membered)-heteroaryl acyl pyrrolidine derivatives as HCV inhibitors GLAXO GROUP LIMITED (GB) 2007-08-21 US disclosed
EP-1440069-B1 4-(6-MEMBERED)-HETEROARYL ACYL PYRROLIDINE DERIVATIVES AS HCV INHIBITORS GLAXO GROUP LTD (GB) 2007-08-15 EP disclosed
US-20050043390-A1 4-(6-membered)-heteroaryl acyl pyrrolidine derivatives as hcv inhibitors GLAXO GROUP LIMITED (GB) 2005-02-24 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-20050043390-A1 4-(6-membered)-heteroaryl acyl pyrrolidine derivatives as hcv inhibitors NR1H3, NR1H2, NR1I3 RAB9A 1893/4885NPC1 197/4885PSMB5 1941/4885

“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.