SCHEMBL5544255

SCHEMBL5544255

CN(C=O)Cc1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.51
RIPK1 Q13546 1/20 0.50
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
OPRM1 P35372 1/20 0.46
OPRL1 P41146 1/20 0.46
SLC6A3 Q01959 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
NPC1 O15118 1/20 0.43
SCD5 Q86SK9 1/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
IDO1 P14902 1/20 0.42
AGXT P21549 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
ADRA2C P18825 1/20 0.41
CHRM3 P20309 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
SCHEMBL30798825 0.79 TAAR1 (0.66) TAAR1RIPK1MEN1KMT2AOPRM1
SCHEMBL171949 0.79 TAAR1 (0.66) TAAR1RIPK1MEN1KMT2AOPRM1
SCHEMBL5542202 0.79 PYCR1 (0.53) TAAR1RIPK1ALDH1A1MAOAMAOB
SCHEMBL5547339 0.79 PYCR1 (0.53) TAAR1RIPK1CHRM2CHRM3
SCHEMBL5543736 0.77 MEN1 (0.50) TAAR1RIPK1MEN1KMT2AOPRM1
SCHEMBL5537402 0.77 PYCR1 (0.47) TAAR1RIPK1MEN1KMT2AALDH1A1
SCHEMBL967209 0.77 TSHR (0.56) TAAR1MEN1KMT2ASLC6A3ALDH1A1
SCHEMBL19910379 0.76 MEN1 (0.47) TAAR1RIPK1MEN1KMT2AOPRM1
SCHEMBL21113554 0.76 TAAR1 (0.56) TAAR1RIPK1MEN1KMT2AOPRM1
SCHEMBL28797876 0.76 TAAR1 (0.56) TAAR1RIPK1MEN1KMT2AOPRM1

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-9540392-B2 Thienopyrimidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-10 US disclosed
US-9540392-B2 Thienopyrimidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-10 US disclosed
EP-2852596-B1 THIENOPYRIMIDINES Bayer Pharma AG (DE) 2016-06-22 EP disclosed
US-20150133425-A1 THIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-14 US disclosed
US-20150133425-A1 THIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-14 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-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 (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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 TAAR1 364/4885RIPK1 1770/4885MEN1 3295/4885
US-20150133425-A1 THIENOPYRIMIDINES TYMP, DPYD, TYMS TAAR1 4485/4885RIPK1 4230/4885MEN1 1628/4885

“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.