SCHEMBL7187429

SCHEMBL7187429

CC(C)c1nc(CN(C(=O)N[C@@H](C)C(=O)O)C2CC2)cs1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 0.49
BACE1 P56817 1/20 0.40
SLC6A9 P48067 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
SHMT2 P34897 5/20 0.37
SHMT1 P34896 3/20 0.37
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL2736185 0.90 CYP3A4 (0.54) CYP3A4BACE1
SCHEMBL7174480 0.89 CYP3A4 (0.49) CYP3A4BACE1SLC6A9SLC6A5
SCHEMBL10202787 0.86 CYP3A4 (0.53) CYP3A4BACE1
SCHEMBL2736153 0.85 CYP3A4 (0.52) CYP3A4BACE1
SCHEMBL13771306 0.84 CYP3A4 (0.51) CYP3A4BACE1
SCHEMBL10202546 0.84 CYP3A4 (0.49) CYP3A4BACE1
SCHEMBL2736193 0.84 CYP3A4 (0.54) CYP3A4
SCHEMBL2736143 0.84 CYP3A4 (0.49) CYP3A4BACE1
SCHEMBL2736308 0.83 CYP3A4 (0.48) CYP3A4BACE1SLC6A9SLC6A5
SCHEMBL2736309 0.83 CYP3A4 (0.49) CYP3A4BACE1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030195362-A1 Retroviral protease inhibiting compounds KEMPF DALE J (US) 2003-10-16 US disclosed
EP-1302468-A1 Processes and intermediates for manufacturing retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2003-04-16 EP disclosed
US-6531610-B1 Intermediate acylating carbonate ABBOTT LABORATORIES 2003-03-11 US disclosed
EP-1090914-A2 Processes and intermediates for manufacturing retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2001-04-11 EP disclosed
US-6150530-A AMIDATION OF AMINE WITH ACID ABBOTT LABORATORIES (US) 2000-11-21 US disclosed
US-6017928-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2000-01-25 US disclosed
US-5892052-A Process for making retroviral protease inhibiting compounds ABBOTT LABORTORIES (US) 1999-04-06 US disclosed
US-5886036-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1999-03-23 US disclosed
US-5696270-A Intermediate for making retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-12-09 US disclosed
US-5679797-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-10-21 US disclosed
US-5591860-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-01-07 US disclosed
US-5583232-A TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS ABBOTT LABORATORIES (US) 1996-12-10 US disclosed
US-5583233-A TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS ABBOTT LABORATORIES (US) 1996-12-10 US disclosed
US-5580984-A 1-OXA-3-AZA-2-BORINE INTERMEDIATES ABBOTT LABORATORIES (US) 1996-12-03 US disclosed
US-5565418-A PREPARING CARBAMATE INTERMEDIATES BY REACTING SUBSTITUTED HYDROXYDIAMINE COMPOUND WITH ONE AMINE PROTECTED WITH ACTIVATED ACYLATING AGENT, DEPROTECTING ABBOTT LABORATORIES (US) 1996-10-15 US disclosed
EP-0674513-B1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 1996-09-25 EP disclosed
US-5552558-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1996-09-03 US disclosed
EP-0727419-A2 Retroviral protease inhibiting compounds Abbott Laboratories (US) 1996-08-21 EP disclosed
US-5541206-A TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTION ABBOTT LABORATORIES (US) 1996-07-30 US disclosed
US-5539122-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1996-07-23 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-20030195362-A1 Retroviral protease inhibiting compounds PREP, SERPINB1, PRSS1 CYP3A4 1658/4885BACE1 33/4885SLC6A9 4160/4885

“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.