SCHEMBL475432

SCHEMBL475432

O=CC(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.44
SIGMAR1 Q99720 1/20 0.44
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
HTR2A P28223 1/20 0.43
ADRA1A P35348 1/20 0.43
OPRK1 P41145 1/20 0.43
KCNH2 Q12809 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
TAAR1 Q96RJ0 2/20 0.42
HPGD P15428 1/20 0.41
CYP1A2 P05177 1/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.38
NPBWR1 P48145 1/20 0.38

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
SCHEMBL475431 1.00 EPHX1 (0.44) EPHX1SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL18039491 0.90 MME (0.43) EPHX1SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL18039493 0.90 MME (0.43) EPHX1SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL1594425 0.86 PPARG (0.44) SIGMAR1KMT2AMEN1
SCHEMBL1594421 0.86 PPARG (0.44) SIGMAR1KMT2AMEN1
SCHEMBL475776 0.85 TDP1 (0.36) EPHX1SIGMAR1KMT2AMEN1L3MBTL1
SCHEMBL14130060 0.85 TDP1 (0.36) EPHX1SIGMAR1KMT2AMEN1L3MBTL1
SCHEMBL475774 0.85 TDP1 (0.36) EPHX1SIGMAR1KMT2AMEN1L3MBTL1
SCHEMBL13110181 0.85 BCHE (0.51) PTGS1L3MBTL1
SCHEMBL5270401 0.85 BCHE (0.51) PTGS1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189864-B2 Method of preparing intermediates useful in synthesis of retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-03-13 US claimed
US-20050171366-A1 Method of preparing intermediates useful in synthesis of retroviral protease inhibitors G.D. SEARLE & CO. (US) 2005-08-04 US claimed
US-20030225285-A1 Method for preparing intermediates useful in synthesis of retroviral protease inhibitors G.D. SEARLE & CO. 2003-12-04 US claimed
US-20020161234-A1 Method of preparing intermediates useful in synthesis of retroviral protease inhibitors G.D. SEARLE & CO. (US) 2002-10-31 US claimed
EP-0730570-B1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 2000-04-19 EP claimed
US-5847201-A N-protected/N-substituted-beta-amino hydroxy sulfonates G.D. SEARLE & CO. (US) 1998-12-08 US claimed
US-5583238-A Method for making intermediates useful in synthesis of retroviral protease inhibitors G. D. SEARLE & CO. (US) 1996-12-10 US claimed
EP-0730570-A1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-11 EP claimed
EP-0641333-B1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 1996-08-14 EP claimed
WO-1995014653-A1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-06-01 WO claimed
EP-0641333-A1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS. SEARLE & CO (US) 1995-03-08 EP claimed
WO-1993023388-A1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1993-11-25 WO claimed
CN-105175364-B A kind of method for preparing anti-aids drug amprenavir intermediate 上海应用技术学院 2018-05-22 CN disclosed
CN-105175364-A Method for preparing amprenavir midbody serving as anti-AIDS medicine SHANGHAI INST TECHNOLOGY 2015-12-23 CN disclosed
US-8703947-B2 Compounds for treatment of Alzheimer's disease PURDUE RESEARCH FOUNDATION (US) 2014-04-22 US disclosed
US-20130102593-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION 2013-04-25 US disclosed
EP-0657415-A1 OPTICALLY ACTIVE AMINO ALCOHOL DERIVATIVE AND PROCESS FOR PRODUCING THE SAME KANEKA CORPORATION (JP) 1995-06-14 EP disclosed
WO-1995006061-A1 RETROVIRAL PROTEASE INHIBITORS AND COMBINATIONS THEREOF G.D. SEARLE & CO. (US) 1995-03-02 WO disclosed
WO-1993013066-A1 CYCLIC AMIDES OF 3-AMINO-2-HYDROXY-CARBOXYLIC ACIDS AS HIV-PROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1993-07-08 WO disclosed
US-4990669-A Optically active α-amino aldehydes, process for the preparation thereof, and the use thereof for the stereoselective preparation of optically active β-amino alcohols BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 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-20020161234-A1 Method of preparing intermediates useful in synthesis of retroviral protease inhibitors PREP, DNPEP, ANPEP EPHX1 7/4885SIGMAR1 3015/4885SLC6A2 3936/4885
US-20030225285-A1 Method for preparing intermediates useful in synthesis of retroviral protease inhibitors PREP, DNPEP, ANPEP EPHX1 7/4885SIGMAR1 3006/4885SLC6A2 3836/4885
US-20050171366-A1 Method of preparing intermediates useful in synthesis of retroviral protease inhibitors PREP, DNPEP, ANPEP EPHX1 7/4885SIGMAR1 3015/4885SLC6A2 3936/4885
US-20130102593-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, APP EPHX1 1408/4885SIGMAR1 4501/4885SLC6A2 4243/4885

“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.