SCHEMBL1190633

SCHEMBL1190633

CN(CCBr)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
F13A1 P00488 1/20 0.47
TGM2 P21980 1/20 0.47
TGM1 P22735 1/20 0.47
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CCR6 P51684 1/20 0.46
PAX8 Q06710 1/20 0.46
HDAC1 Q13547 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
ABCB1 P08183 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43

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
SCHEMBL1896919 0.91 ALDH1A1 (0.49) ALDH1A1MAPTHPGDF13A1TGM2
SCHEMBL7367495 0.90 ALDH1A1 (0.58) ALDH1A1MAPTHPGDF13A1TGM2
SCHEMBL31626045 0.89 CCR6 (0.49) ALDH1A1MAPTHPGDF13A1TGM2
SCHEMBL27267384 0.88 CCR6 (0.48) ALDH1A1MAPTHPGDF13A1TGM2
SCHEMBL31697957 0.85 ALDH1A1 (0.53) ALDH1A1MAPTHPGDF13A1TGM2
SCHEMBL553299 0.85 ALDH1A1 (0.53) ALDH1A1MAPTHPGDF13A1TGM2
SCHEMBL25978639 0.85 ALDH1A1 (0.53) ALDH1A1MAPTHPGDF13A1TGM2
SCHEMBL2724661 0.85 ALDH1A1 (0.53) ALDH1A1MAPTHPGDF13A1TGM2
SCHEMBL13181407 0.85 LTB4R (0.56) ALDH1A1MAPTHPGDF13A1TGM2
SCHEMBL25526046 0.84 ALDH1A1 (0.49) ALDH1A1MAPTHPGDF13A1TGM2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7893256-B2 Azabicycloalkane compounds THERAVANCE, INC. (US) 2011-02-22 US disclosed
US-20100197922-A1 AZABICYCLOALKANE COMPOUNDS THERAVANCE, INC. (US) 2010-08-05 US disclosed
US-7732441-B2 Azabicycloalkane compounds THERAVANCE, INC. (US) 2010-06-08 US disclosed
EP-1626970-B1 AZABICYCLOALKANE COMPOUNDS AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE INC (US) 2009-07-08 EP disclosed
US-20080139603-A1 Azabicycloalkane compounds THERAVANCE BIOPHARMA R&D IP, LLC 2008-06-12 US disclosed
US-7358244-B2 Azabicycloalkane compounds THERAVANCE, INC. (US) 2008-04-15 US disclosed
US-20040242622-A1 Azabicycloalkane compounds THERAVANCE BIOPHARMA R&D IP, LLC 2004-12-02 US disclosed
EP-0688314-B1 PRODRUG DERIVATIVES OF ENZYME INHIBITORS WITH HYDROXYL GROUPS, METHODS OF PREPARING THEM AND THEIR USE HOECHST AG (DE) 2001-10-04 EP disclosed
US-5804559-A WATER SOLUBILITY HOECHST AKTIENGESELLSCHAFT (DE) 1998-09-08 US disclosed
EP-0688314-A1 PRODRUG DERIVATIVES OF ENZYME INHIBITORS WITH HYDROXYL GROUPS, METHODS OF PREPARING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1995-12-27 EP disclosed
WO-1994021604-A1 PRODRUG DERIVATIVES OF ENZYME INHIBITORS WITH HYDROXYL GROUPS, METHODS OF PREPARING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1994-09-29 WO disclosed
US-3992437-A Polyhydrophenanthrene derivatives STERLING DRUG INC. (US) 1976-11-16 US disclosed
US-3932482-A CARDIOTONIC STERLING DRUG INC. (US) 1976-01-13 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 (3 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-20080139603-A1 Azabicycloalkane compounds ADRB1, ADRB2, ADRA2B ALDH1A1 901/4885MAPT 3636/4885HPGD 2880/4885
US-20040242622-A1 Azabicycloalkane compounds ADRB1, ADRB2, ADRA1B ALDH1A1 638/4885MAPT 4287/4885HPGD 2943/4885
US-20100197922-A1 AZABICYCLOALKANE COMPOUNDS ADRB1, ADRB2, ADRA2B ALDH1A1 901/4885MAPT 3636/4885HPGD 2880/4885

“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.