SCHEMBL4902901

SCHEMBL4902901

CC(C)CNC(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.56
ACE P12821 7/20 0.54
REN P00797 4/20 0.54
LMNA P02545 2/20 0.54
HSD17B10 Q99714 2/20 0.54
KDM4E B2RXH2 1/20 0.54
F2 P00734 1/20 0.54
LTA4H P09960 1/20 0.54
MAPT P10636 1/20 0.54
PEPD P12955 1/20 0.54
ALOX15 P16050 1/20 0.54
PTGS1 P23219 1/20 0.54
HTR2A P28223 1/20 0.54
PTGS2 P35354 1/20 0.54
HRH1 P35367 1/20 0.54
THPO P40225 1/20 0.54
PMP22 Q01453 1/20 0.54
ACE2 Q9BYF1 1/20 0.54
ITGB3 P05106 1/20 0.47
ITGB1 P05556 1/20 0.47

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
SCHEMBL7058716 0.87 ACE (0.50) RAB9AACERENLMNAHSD17B10
SCHEMBL7337917 0.87 ACE (0.50) RAB9AACERENLMNAHSD17B10
SCHEMBL7408158 0.87 ACE (0.50) RAB9AACERENLMNAHSD17B10
SCHEMBL9728258 0.82 ACE (0.53) RAB9AACERENLMNAHSD17B10
SCHEMBL3600173 0.82 ACE (0.57) RAB9AACERENLMNAHSD17B10
SCHEMBL5134719 0.82 ACE (0.57) RAB9AACERENLMNAHSD17B10
SCHEMBL17285637 0.79 ACE (0.51) RAB9AACERENLMNAHSD17B10
SCHEMBL4728479 0.79 THRB (0.49) RAB9AACERENLMNAHSD17B10
SCHEMBL6407009 0.79 ACE (0.60) RAB9AACERENLMNAHSD17B10
SCHEMBL2422744 0.78 ACE (0.48) RAB9AACERENLMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080103311-A1 Retroviral protease inhibitors PHARMACIA CORPORATION (US) 2008-05-01 US disclosed
US-7312333-B2 Retroviral protease inhibitors PHARMACIA CORPORATION (US) 2007-12-25 US disclosed
US-20060166895-A1 Retroviral protease inhibitors MONSANTO COMPANY (NOW NAMED PHARMACIA CORPORATION, WHICH IS A WHOLLY OWNED SUBSIDIARY OF PFIZER, INC (US) 2006-07-27 US disclosed
US-7026485-B2 Retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-04-11 US disclosed
US-20050004230-A1 Retroviral protease inhibitors MONSANTO COMPANY (NOW NAMED PHARMACIA CORPORATION, WHICH IS A WHOLLY OWNED SUBSIDIARY OF PFIZER, INC (US) 2005-01-06 US disclosed
US-6762187-B2 HETEROCYCLIC NITROGEN COMPOUNDS USED AS ENZYME INHIBITORS FOR PROPHYLAXIS OF HUMAN IMMUNODEFICIENCY VIRUS(HIV) MONSANTO COMPANY 2004-07-13 US disclosed
US-6506759-B1 Method for treating HIV-related AIDS comprising administering an effective amount of a composition N-heterocyclic moiety containing hydroxyethylamine compounds are effective as retroviral protease inhibitors, and in MONSANTO COMPANY 2003-01-14 US disclosed
US-6180646-B1 PREVENT REPRODUCTION OF RETROVIRUS MONSANTO COMPANY 2001-01-30 US disclosed
EP-0641325-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1995-03-08 EP 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-20080103311-A1 Retroviral protease inhibitors PREP, DNPEP, SERPINB1 RAB9A 2264/4885ACE 51/4885REN 983/4885
US-20050004230-A1 Retroviral protease inhibitors MME, PREP, TMPRSS15 RAB9A 2585/4885ACE 78/4885REN 1048/4885
US-20060166895-A1 Retroviral protease inhibitors MME, PREP, TMPRSS15 RAB9A 2585/4885ACE 78/4885REN 1048/4885

“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.