SCHEMBL2436429

SCHEMBL2436429

N[C@@H](Cc1ccccc1)C[C@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.61
CSNK1E P49674 1/20 0.56
ANPEP P15144 2/20 0.53
SLC15A1 P46059 1/20 0.49
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
SLC6A2 P23975 2/20 0.47
TAAR1 Q96RJ0 2/20 0.47
MAOA P21397 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CYP2A6 P11509 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
MMP2 P08253 1/20 0.45
SCN4A P35499 1/20 0.45

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
SCHEMBL7195304 1.00 EPHX1 (0.61) EPHX1CSNK1EANPEPSLC15A1ALPI
SCHEMBL7308044 1.00 EPHX1 (0.61) EPHX1CSNK1EANPEPSLC15A1ALPI
SCHEMBL30025452 1.00 EPHX1 (0.61) EPHX1CSNK1EANPEPSLC15A1ALPI
SCHEMBL7797835 1.00 EPHX1 (0.61) EPHX1CSNK1EANPEPSLC15A1ALPI
Hydrochloric Acid SCHEMBL7499120 0.98 EPHX1 (0.59) EPHX1CSNK1EANPEPSLC15A1ALPI
Hydrochloric Acid SCHEMBL7095630 0.98 EPHX1 (0.59) EPHX1CSNK1EANPEPSLC15A1ALPI
Hydrochloric Acid SCHEMBL8947219 0.98 EPHX1 (0.59) EPHX1CSNK1EANPEPSLC15A1ALPI
Hydrochloric Acid SCHEMBL8972242 0.98 EPHX1 (0.59) EPHX1CSNK1EANPEPSLC15A1ALPI
SCHEMBL8233707 0.91 EPHX1 (0.52) EPHX1CSNK1EANPEPSLC15A1ALPI
Hydrochloric Acid SCHEMBL5839457 0.88 CSNK1E (0.53) EPHX1CSNK1EANPEPSLC6A2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1302468-A1 Processes and intermediates for manufacturing retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2003-04-16 EP claimed
EP-0748801-B1 2-ISOXAZOLINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING RELATED DERIVATIVES FROM THE SAME DAICEL CHEM (JP) 2001-12-19 EP claimed
EP-1090914-A2 Processes and intermediates for manufacturing retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2001-04-11 EP claimed
EP-0486948-B1 Retroviral protease inhibiting compounds ABBOTT LAB (US) 2000-10-04 EP claimed
US-5837873-A PROTECTED OXYDIAMINES ABBOTT LABORATORIES (US) 1998-11-17 US claimed
US-5659045-A AIDS THERAPY ABBOTT LABORATORIES (US) 1997-08-19 US claimed
EP-0727419-A2 Retroviral protease inhibiting compounds Abbott Laboratories (US) 1996-08-21 EP claimed
US-20140194349-A1 HIV Protease Inhibiting Compounds ABBVIE INC. (US) 2014-07-10 US disclosed
EP-1697344-B1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2011-09-28 EP disclosed
EP-2266971-A2 Hiv protease inhibiting compounds Abbott Laboratories (US) 2010-12-29 EP disclosed
US-7834043-B2 Prevent reproduct of aids virus ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-20100249181-A1 HIV Protease Inhibiting Compounds ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
EP-1302468-B1 Processes and intermediates for manufacturing retroviral protease inhibiting compounds ABBOTT LAB (US) 2008-12-17 EP disclosed
EP-0672649-A1 Process for producing optically active diaminohexanone derivative Takasago International Corporation (JP) 1995-09-20 EP disclosed
WO-1995020384-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING HIV PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1995-08-03 WO disclosed
WO-1995009614-A1 PHARMACEUTICAL COMPOSITION ABBOTT LABORATORIES (US) 1995-04-13 WO disclosed
WO-1995007696-A1 PHARMACEUTICAL COMPOSITION OF HIV-PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1995-03-23 WO disclosed
US-5354866-A Treating HIV infections ABBOTT LABORATORIES (US) 1994-10-11 US disclosed
WO-1994014436-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-07-07 WO disclosed
EP-0486948-A2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1992-05-27 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 (2 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-20100249181-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP EPHX1 2053/4885CSNK1E 1502/4885ANPEP 11/4885
US-20140194349-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP EPHX1 2053/4885CSNK1E 1502/4885ANPEP 11/4885

“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.