SCHEMBL5536189

SCHEMBL5536189

O=C(Cl)N1Cc2ccc(Cl)cc2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.50
FAP Q12884 1/20 0.50
MAOB P27338 1/20 0.47
TAS1R3 Q7RTX0 3/20 0.46
TAS1R1 Q7RTX1 3/20 0.46
TAS1R2 Q8TE23 3/20 0.46
NAMPT P43490 3/20 0.46
HDAC8 Q9BY41 5/20 0.44
HSD17B3 P37058 2/20 0.43
CPT2 P23786 1/20 0.43
CPT1A P50416 1/20 0.43
ROCK2 O75116 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
SPR P35270 1/20 0.41
ERCC1 P07992 1/20 0.40

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
SCHEMBL5539399 0.86 ESR2 (0.54) DPP4FAPTAS1R3TAS1R1TAS1R2
SCHEMBL13892490 0.85 DPP4 (0.47) DPP4FAPMAOBTAS1R3TAS1R1
SCHEMBL16284194 0.83 NOTUM (0.60) DPP4FAPMAOBTAS1R3TAS1R1
SCHEMBL30412058 0.79 ESR1 (0.57) DPP4FAPMAOBTAS1R3TAS1R1
SCHEMBL8278212 0.79 TAS1R3 (0.49) DPP4FAPMAOBTAS1R3TAS1R1
SCHEMBL25199618 0.79 ESR1 (0.57) DPP4FAPMAOBTAS1R3TAS1R1
SCHEMBL16282720 0.79 HDAC6 (0.61) DPP4FAPMAOBTAS1R3TAS1R1
SCHEMBL31606437 0.77 NOTUM (0.61) TAS1R3TAS1R1TAS1R2NAMPTSPR
SCHEMBL330006 0.77 NOTUM (0.61) TAS1R3TAS1R1TAS1R2NAMPTSPR
SCHEMBL21768167 0.76 MAOB (0.56) MAOBNAMPTESR1ESR2SPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200207769-A1 DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2020-07-02 US disclosed
US-10633384-B2 Diazaspirocycloalkane and azaspirocycloalkane HOFFMANN-LA ROCHE INC. (US) 2020-04-28 US disclosed
US-20170029425-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2017-02-02 US disclosed
EP-2861566-B1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN LA ROCHE (CH) 2016-12-21 EP disclosed
US-9493486-B2 Diazaspirocycloalkane and azaspirocycloalkane HOFFMANN-LA ROCHES INC. (US) 2016-11-15 US disclosed
EP-2861566-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE F. Hoffmann-La Roche AG (CH) 2015-04-22 EP disclosed
US-20150099734-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2015-04-09 US disclosed
CN-104364239-A New diazaspirocycloalkane and azaspirocycloalkane HOFFMANN LA ROCHE 2015-02-18 CN disclosed
WO-2013186159-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE F. HOFFMANN-LA ROCHE AG (CH) 2013-12-19 WO 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 (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-20200207769-A1 DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE ENPP2, DAPK1, DAPK2 DPP4 248/4885FAP 1179/4885MAOB 3028/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 DPP4 3965/4885FAP 4884/4885MAOB 2140/4885
US-20170029425-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE ENPP2, DAPK1, DAPK2 DPP4 187/4885FAP 1771/4885MAOB 3158/4885
US-10633384-B2 Diazaspirocycloalkane and azaspirocycloalkane ENPP2, DAPK1, DAPK2 DPP4 248/4885FAP 1179/4885MAOB 3028/4885
US-20150099734-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE DAPK2, DAPK1, IDH3A DPP4 1425/4885FAP 3913/4885MAOB 3088/4885

“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.