SCHEMBL840935

SCHEMBL840935

O=C1CN(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)C(=O)N1CC1CCO1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.38
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HCRTR1 O43613 3/20 0.34
HCRTR2 O43614 3/20 0.34
ENPP2 Q13822 2/20 0.34
PARP1 P09874 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
DCTPP1 Q9H773 2/20 0.33
CXCR4 P61073 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
JAK1 P23458 2/20 0.33
JAK2 O60674 1/20 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
SCHEMBL840052 0.89 HRH3 (0.41) HRH3HTR1ADRD2CYP2D6CYP2C19
SCHEMBL839469 0.84 HRH3 (0.43) HRH3HTR1ADRD2CYP2D6CYP2C19
SCHEMBL840168 0.82 ENPP2 (0.40) HRH3HTR1ADRD2CYP2D6CYP2C19
SCHEMBL840115 0.81 HRH3 (0.41) HRH3HTR1ADRD2CYP2D6CYP2C19
SCHEMBL839962 0.81 HRH3 (0.41) HRH3HTR1ADRD2CYP2D6CYP2C19
SCHEMBL840172 0.81 HRH3 (0.41) HRH3HTR1ADRD2CYP2D6CYP2C19
SCHEMBL840087 0.81 NOS1 (0.41) HRH3CYP2D6CYP2C19HCRTR1HCRTR2
SCHEMBL840546 0.80 HRH3 (0.39) HRH3HTR1ADRD2CYP2D6CYP2C19
SCHEMBL839682 0.80 ENPP2 (0.39) HRH3HTR1ADRD2CYP2D6CYP2C19
SCHEMBL840569 0.79 HRH3 (0.39) HRH3HTR1ADRD2CYP2D6CYP2C19

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 4 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
EP-2373639-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V. Organon (NL) 2011-10-12 EP disclosed
US-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V.ORGANON 2010-06-10 US disclosed
WO-2010063666-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V. ORGANON (NL) 2010-06-10 WO 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 HRH3 18/4885HTR1A 953/4885DRD2 84/4885

“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.