Sugi Predict

Sugi Predict / Compounds / SCHEMBL10025296

SCHEMBL10025296

SCHEMBL10025296

CC(C)(C)C1CC(Oc2ccc3ccccc3c2)CN1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ 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
▸ DDB1 Q16531 1/20 0.34
▸ CRBN Q96SW2 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ PPARG P37231 2/20 0.33
▸ PPARA Q07869 2/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ HRH3 Q9Y5N1 3/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ ROCK1 Q13464 2/20 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
SCHEMBL10025297 0.84 SLC6A2 (0.44) KCNH2
SCHEMBL12849168 0.82 KDM4E (0.35) CYP1A2CYP2A6PDE3BPDE3APDE10A
SCHEMBL12416099 0.79 HRH3 (0.37) FPR2PROKR1KCNH2PPARGPPARA
SCHEMBL7420053 0.79 KCNH2 (0.41) KCNH2PPARGPPARA
SCHEMBL10025293 0.78 HRH3 (0.40) HRH3DRD3
SCHEMBL10025291 0.77 MEN1 (0.40) PDE3BPDE3APDE10AKDM4EHRH3
SCHEMBL14534904 0.77 PPARG (0.41) KDM4EKCNH2PPARGPPARA
SCHEMBL10025300 0.74 SSTR4 (0.36) CYP1A2
SCHEMBL10025288 0.74 HCRTR2 (0.41) CYP2A6
Trifluoroacetic Acid SCHEMBL6413874 0.74 CHRM3 (0.37) KCNH2PPARGPPARA

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 7 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-20120014914-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-19 — — US disclosed
US-7906550-B2 Viricide against hepatitis virus; pyrrole derivatives as, for example, 3-acetyl-4,5-dimethyl-2-pyrrole carboxylic acid VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-15 — — 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-20080125376-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2008-05-29 — — 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 (4 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 CYP1A2 1140/4885CYP2A6 973/4885PDE3B 928/4885
US-20090291902-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 CYP1A2 451/4885CYP2A6 497/4885PDE3B 996/4885
US-20080125376-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 CYP1A2 470/4885CYP2A6 449/4885PDE3B 1021/4885
US-20090022688-A1 INHIBITORS OF SERINE PROTEASE, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 CYP1A2 912/4885CYP2A6 798/4885PDE3B 818/4885

“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.