SCHEMBL5871859

SCHEMBL5871859

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
GAA P10253 1/20 0.44
NPBWR1 P48145 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MCHR1 Q99705 1/20 0.44
ALDH1A1 P00352 3/20 0.43
SIGMAR1 Q99720 1/20 0.43
OPRK1 P41145 2/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAOB P27338 1/20 0.38
CTSC P53634 4/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL5872219 1.00 TSHR (0.44) TSHRGAANPBWR1KMT2ANPSR1
SCHEMBL7340967 1.00 TSHR (0.44) TSHRGAANPBWR1KMT2ANPSR1
SCHEMBL4369852 0.85 TSHR (0.43) TSHRGAANPBWR1KMT2ANPSR1
SCHEMBL4374565 0.83 TSHR (0.41) TSHRGAANPBWR1KMT2ANPSR1
SCHEMBL4373305 0.83 TSHR (0.41) TSHRGAANPBWR1KMT2ANPSR1
SCHEMBL28623788 0.78 TSHR (0.45) TSHRGAANPBWR1KMT2ANPSR1
SCHEMBL17275467 0.78 TSHR (0.45) TSHRGAANPBWR1KMT2ANPSR1
SCHEMBL9328423 0.77 SIGMAR1 (0.50) TSHRKMT2AALDH1A1SIGMAR1OPRK1
SCHEMBL7457261 0.77 SIGMAR1 (0.42) TSHRGAANPBWR1KMT2ANPSR1
SCHEMBL5168408 0.75 SIGMAR1 (0.41) TSHRGAANPBWR1KMT2ANPSR1

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-20060270855-A1 Methods of preparing retroviral proteases inhibitor intermediates G.D. SEARLE & CO. (US) 2006-11-30 US disclosed
US-7060851-B2 Method of preparing retroviral protease inhibitor intermediates G.D. SEARLE & CO. (US) 2006-06-13 US disclosed
US-20050131075-A1 Method of preparing retroviral protease inhibitor intermediates G.D. SEARLE & CO. (US) 2005-06-16 US disclosed
US-6849760-B2 Method of preparing retroviral protease inhibitor intermediates G. D. SEARLE & CO. (US) 2005-02-01 US disclosed
EP-0970066-B1 Preparation of aminoepoxides from aminoaldehydes and an in situ formed halomethyl organometallic reagent SEARLE & CO (US) 2003-09-17 EP disclosed
US-20030171612-A1 Method of preparing retroviral protease inhibitor intermediates G.D. SEARLE & CO. 2003-09-11 US disclosed
US-6515162-B2 Precipitating or crystallizing a salt from solution; suitable as intermediates for large scale production of enzyme inhibitors, e.g. hydroxyethylamine, hydroxyethylurea and hydroxyethylsulfonamide G.D. SEARLE & CO. 2003-02-04 US disclosed
EP-0855388-B1 Method for making intermediates useful in synthesis of retroviral protease inhibitors SEARLE & CO (US) 2002-03-06 EP disclosed
US-20010047111-A1 Method of preparing retroviral protease inhibitor intermediates NG JOHN S (US) 2001-11-29 US disclosed
EP-0804410-B1 METHOD OF PREPARING RETROVIRAL PROTEASE INHIBITOR INTERMEDIATES SEARLE & CO (US) 2001-08-29 EP disclosed
EP-0855388-A2 Method for making intermediates useful in synthesis of retroviral protease inhibitors G.D. SEARLE & CO. (US) 1998-07-29 EP disclosed
WO-1998029401-A1 AMINOEPOXIDES FROM AMINOALDEHYDES AND IN-SITU FORMED HALOMETHYL ORGANOMETALLIC REAGENT G.D. SEARLE & CO. (US) 1998-07-09 WO disclosed
EP-0849257-A1 Process for the preparation of 3-amino-2-hydroxy-4-phenylbutyronitrile derivatives KURARAY CO., LTD. (JP) 1998-06-24 EP disclosed
EP-0804410-A1 METHOD OF PREPARING RETROVIRAL PROTEASE INHIBITOR INTERMEDIATES G.D. SEARLE & CO. (US) 1997-11-05 EP disclosed
US-5648511-A Method for making intermediates useful in the synthesis of retroviral protease inhibitors G.D. SEARLE & CO. (US) 1997-07-15 US disclosed
EP-0730570-A1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-11 EP disclosed
US-5545640-A VIRICIDES, HIV; AIDS BIO-MEGA/BOEHRINGER INGELEHEIM RESEARCH INC. (CA) 1996-08-13 US disclosed
WO-1996022275-A1 METHOD OF PREPARING RETROVIRAL PROTEASE INHIBITOR INTERMEDIATES G.D. SEARLE & CO. (US) 1996-07-25 WO disclosed
WO-1995014653-A1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-06-01 WO disclosed
EP-0288764-B1 OPTICALLY ACTIVE ALPHA-AMINO ALDEHYDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE IN THE STEREOSELECTIVE PREPARATION OF OPTICALLY ACTIVE BETA-AMINO ALCOHOLS BAYER AG (DE) 1990-10-24 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 (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-20060270855-A1 Methods of preparing retroviral proteases inhibitor intermediates ACE, REN, MME TSHR 4576/4885GAA 72/4885NPBWR1 4423/4885
US-20030171612-A1 Method of preparing retroviral protease inhibitor intermediates ACE, REN, MME TSHR 4591/4885GAA 79/4885NPBWR1 4324/4885
US-20010047111-A1 Method of preparing retroviral protease inhibitor intermediates ACE, REN, MME TSHR 4591/4885GAA 79/4885NPBWR1 4324/4885
US-20050131075-A1 Method of preparing retroviral protease inhibitor intermediates ACE, REN, MME TSHR 4635/4885GAA 70/4885NPBWR1 4407/4885

“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.