SCHEMBL7094675

SCHEMBL7094675

CCc1nc(CN(C)C(=O)N[C@H](C(=O)O)C(C)C)cs1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 19/20 0.42
CYP2D6 P10635 5/20 0.42
CYP2C19 P33261 4/20 0.42
CYP2C9 P11712 4/20 0.42
CYP1A2 P05177 2/20 0.40
CA2 P00918 1/20 0.39

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
SCHEMBL7179478 0.89 CYP3A4 (0.42) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL7091733 0.88 CYP3A4 (0.45) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL7187907 0.87 CYP3A4 (0.44) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL1056821 0.85 CYP3A4 (0.50) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL7176885 0.84 CYP3A4 (0.45) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL1389204 0.84 CYP3A4 (0.56) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL7391613 0.84 CYP3A4 (0.56) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL27900691 0.84 CYP3A4 (0.56) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL7185853 0.83 CYP3A4 (0.49) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL7527628 0.83 CYP3A4 (0.55) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6667404-B2 Carbamylation of 1-amino group of 1,4-amino-3-hydroxybutane derivative with an organocarbonate containing thiazolyl, oxazolyl, isoxazolyl or isothiazolyl substituent ABBOTT LABORATORIES 2003-12-23 US disclosed
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-B1 Retroviral protease inhibiting compounds ABBOTT LAB (US) 2003-01-02 EP 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-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
EP-0674513-A4 1995-10-25 EP disclosed
EP-0674513-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS. ABBOTT LAB (US) 1995-10-04 EP disclosed
WO-1994014436-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-07-07 WO 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 1658/4885CYP2D6 2366/4885CYP2C19 2148/4885

“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.