SCHEMBL5547864

SCHEMBL5547864

Fc1ccc(N2CCNC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.49
HTR7 P34969 4/20 0.49
HTR1A P08908 4/20 0.49
KDM4E B2RXH2 2/20 0.48
TP53 P04637 1/20 0.48
ADRB1 P08588 4/20 0.48
HTR3A P46098 4/20 0.48
HTR3E A5X5Y0 3/20 0.48
HTR3B O95264 3/20 0.48
HTR3D Q70Z44 3/20 0.48
HTR3C Q8WXA8 3/20 0.48
SIGMAR1 Q99720 3/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
GFER P55789 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTR2B P41595 2/20 0.46

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
SCHEMBL894537 0.87 ADRB1 (0.63) MAOBHTR7HTR1AKDM4ETP53
SCHEMBL233425 0.87 ADRB1 (0.63) MAOBHTR7HTR1AKDM4ETP53
Hydrochloric Acid SCHEMBL714521 0.85 ADRB1 (0.61) MAOBHTR7HTR1AKDM4ETP53
Bromide SCHEMBL10674981 0.85 ADRB1 (0.61) MAOBHTR7HTR1AKDM4ETP53
Piperazine SCHEMBL7486912 0.85 ADRB1 (0.61) MAOBHTR7HTR1AKDM4ETP53
Hydrochloric Acid SCHEMBL1005870 0.85 ADRB1 (0.61) MAOBHTR7HTR1AKDM4ETP53
SCHEMBL943026 0.82 HTR7 (0.70) MAOBHTR7HTR1AKDM4ETP53
SCHEMBL5237662 0.80 HTR3A (0.57) MAOBHTR7HTR1AKDM4ETP53
Hydrochloric Acid SCHEMBL943219 0.80 HTR7 (0.68) MAOBHTR7HTR1AKDM4ETP53
SCHEMBL3781270 0.79 ADRB1 (0.77) HTR7HTR1AKDM4EADRB1HTR3A

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
CN-107207515-B Pyrazine compounds for the treatment of infectious diseases 豪夫迈·罗氏有限公司 2019-05-28 CN disclosed
CN-105073751-B The substituted imidazoles new as Casein kinase 1 δ/epsilon inhibitor 百时美施贵宝公司 2018-11-30 CN disclosed
CN-107207515-A Pyrazine compounds for the treatment of infectious diseases 豪夫迈·罗氏有限公司 2017-09-26 CN disclosed
CN-107011343-A Novel pyrazole derivative 持田制药株式会社 2017-08-04 CN disclosed
CN-106957317-A Novel pyrazole derivative 持田制药株式会社 2017-07-18 CN disclosed
CN-105189493-B Novel Pyrazole Derivatives 持田制药株式会社 2017-04-12 CN disclosed
CN-105073751-A Novel substituted imidazoles as casein kinase 1 [delta]/[epsilon] inhibitors BRISTOL MYERS SQUIBB CO 2015-11-18 CN 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
CN-102471341-A Compounds and compositions for the treatment of parasitic diseases IRM LLC 2012-05-23 CN 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
CN-1139589-C Tetrahydroimidazo [2,1-a] isoquinoline derivatives ��˹��ŵ�� 2004-02-25 CN 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 (1 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 MAOB 2140/4885HTR7 3656/4885HTR1A 4141/4885

“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.