SCHEMBL5535476

SCHEMBL5535476

O=CNCCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.50
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
CNR1 P21554 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
MAOB P27338 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SLC6A5 Q9Y345 2/20 0.43
GPR55 Q9Y2T6 1/20 0.43
LTA4H P09960 1/20 0.43
EPHX2 P34913 1/20 0.43
MIF P14174 1/20 0.42
FFAR1 O14842 1/20 0.42
NR3C2 P08235 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL5538860 0.89 HDAC1 (0.50) TAAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5540875 0.88 HDAC1 (0.53) TAAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5542719 0.88 HDAC1 (0.53) TAAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL8763412 0.84 LMNA (0.50) TAAR1GAAMAPT
SCHEMBL3400670 0.81 TACR1 (0.46) KMT2A
SCHEMBL8763624 0.81 ESRRG (0.44) CNR1
SCHEMBL3310761 0.81 ADH1B (0.55) TAAR1HDAC1HDAC8FFAR1
Hydrochloric Acid SCHEMBL6682230 0.80 TACR1 (0.44) KMT2A
SCHEMBL5543041 0.80 TAAR1 (0.56) TAAR1CNR1HDAC1HDAC8MEN1
SCHEMBL350049 0.79 TAAR1 (0.55) TAAR1LTA4HEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654834-B2 Non-systemic TGR5 agonists Venenum Biodesign, LLC (US) 2020-05-19 US disclosed
US-20190330191-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS Venenum Biodesign, LLC (US) 2019-10-31 US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-20120277209-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2012-11-01 US disclosed
US-8053438-B2 Pyrazine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2011-11-08 US disclosed
US-20100137278-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-03 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 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 (5 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-20100137278-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A TAAR1 1590/4885PLAAT3 849/4885PLAAT5 437/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 TAAR1 364/4885PLAAT3 3337/4885PLAAT5 4661/4885
US-20190330191-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS GPR119, FFAR1, FFAR3 TAAR1 121/4885PLAAT3 718/4885PLAAT5 89/4885
US-10654834-B2 Non-systemic TGR5 agonists GPR119, SSTR5, FFAR3 TAAR1 132/4885PLAAT3 795/4885PLAAT5 96/4885
US-20120277209-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A TAAR1 1031/4885PLAAT3 2081/4885PLAAT5 1661/4885

“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.