SCHEMBL860402

SCHEMBL860402

Brc1cccc(COC2CCCCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
DRD4 P21917 4/20 0.36
SIGMAR1 Q99720 4/20 0.36
CXCR4 P61073 1/20 0.36
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PARP1 P09874 1/20 0.35
SLC6A2 P23975 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR7 P34969 1/20 0.34
HTR2B P41595 1/20 0.34
HTR3A P46098 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HTR4 Q13639 1/20 0.34
MCHR1 Q99705 2/20 0.33

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
SCHEMBL16142846 0.98 ADORA2A (0.39) ADORA2AKDM1AMAOAMAOBDRD4
SCHEMBL19510954 0.95 KDM1A (0.38) ADORA2AKDM1AMAOAMAOBDRD4
SCHEMBL31546866 0.92 KDM1A (0.40) ADORA2AKDM1AMAOAMAOBDRD4
SCHEMBL3510745 0.84 KDM1A (0.36) ADORA2AKDM1AMAOAMAOBDRD4
SCHEMBL3508688 0.82 KDM1A (0.35) ADORA2AKDM1AMAOAMAOBDRD4
SCHEMBL3508690 0.82 KDM1A (0.35) ADORA2AKDM1AMAOAMAOBDRD4
SCHEMBL2575841 0.81 DRD4 (0.52) ADORA2AKDM1AMAOAMAOBDRD4
SCHEMBL22779207 0.79 ADORA2A (0.43) ADORA2AKDM1AMAOAMAOBDRD4
SCHEMBL22779220 0.79 ADORA2A (0.43) ADORA2AKDM1AMAOAMAOBDRD4
SCHEMBL20911362 0.79 ADORA2A (0.43) ADORA2AKDM1AMAOAMAOBDRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143246-B2 1-(4-(pyridin-2-yl)benzyl)imidazolidine-2,4-dione derivatives MSD OSS B.V. (NL) 2012-03-27 US disclosed
US-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V.ORGANON 2010-06-10 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 (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-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES OPRD1, CNR1, CNR2 ADORA2A 1655/4885KDM1A 1987/4885MAOA 3732/4885

“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.