Sugi Predict

Sugi Predict / Compounds / SCHEMBL10058618

SCHEMBL10058618

SCHEMBL10058618

CCC1CC(Oc2ccc3ccccc3c2)CN1CC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ FPR2 P25090 2/20 0.35
▸ PROKR1 Q8TCW9 2/20 0.35
▸ BDKRB2 P30411 1/20 0.35
▸ PPARG P37231 2/20 0.35
▸ PPARA Q07869 2/20 0.35
▸ AGXT P21549 1/20 0.34
▸ DDB1 Q16531 1/20 0.34
▸ CRBN Q96SW2 1/20 0.34

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
SCHEMBL12849164 0.84 SLC6A2 (0.44) DRD3
SCHEMBL12849168 0.82 KDM4E (0.35) HRH3DRD3CYP1A2CYP2A6KDM4E
SCHEMBL14534935 0.79 PPARG (0.40) KDM4EPPARGPPARA
SCHEMBL12849169 0.78 BDKRB2 (0.45) HRH3DRD3BDKRB2
SCHEMBL13627669 0.77 MEN1 (0.42) PDE3BPDE3APDE10A
SCHEMBL14592064 0.76 KDM4E (0.39) HRH3DRD3CYP1A2CYP2A6KDM4E
SCHEMBL10058619 0.74 HCRTR2 (0.43) CYP2A6
SCHEMBL12237054 0.73 HCRTR2 (0.39) HRH3PDE3BPDE3APDE10A
SCHEMBL14877550 0.71 KDM4E (0.42) HRH3DRD3CYP1A2CYP2A6KDM4E
SCHEMBL12327265 0.71 CYP1A2 (0.41) HRH3DRD3CYP1A2CYP2A6KDM4E

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
US-20120014914-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-19 — — US disclosed
US-20090291902-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-26 — — US disclosed
US-20090022688-A1 INHIBITORS OF SERINE PROTEASE, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-01-22 — — US disclosed
US-7365092-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-29 — — 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 (3 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-20120014914-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASES PRSS1, SERPINB1, SPINT2 HRH3 3900/4885DRD3 4683/4885CYP1A2 1140/4885
US-20090291902-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 HRH3 3881/4885DRD3 4621/4885CYP1A2 451/4885
US-20090022688-A1 INHIBITORS OF SERINE PROTEASE, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 HRH3 3880/4885DRD3 4640/4885CYP1A2 912/4885

“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.