SCHEMBL5435824

SCHEMBL5435824

Fc1ccc(N2CCN(CCCCc3ccc4c(c3)OCO4)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.72
HTR1A P08908 5/20 0.62
DRD2 P14416 4/20 0.62
DRD3 P35462 4/20 0.62
HTR2A P28223 3/20 0.62
SIGMAR1 Q99720 3/20 0.62
TMEM97 Q5BJF2 2/20 0.62
DRD1 P21728 2/20 0.62
DRD5 P21918 2/20 0.62
HTR2C P28335 1/20 0.58
HRH1 P35367 1/20 0.58
MAPT P10636 3/20 0.56
ALDH1A1 P00352 2/20 0.56
DRD4 P21917 2/20 0.55
SLC6A4 P31645 1/20 0.53
ADRA1D P25100 3/20 0.52
ADRA1A P35348 3/20 0.52
ADRA1B P35368 3/20 0.52
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51

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
SCHEMBL5427956 0.96 KDM4E (0.73) KDM4EHTR1ADRD2DRD3HTR2A
SCHEMBL5438999 0.92 KDM4E (0.67) KDM4EHTR1ADRD2DRD3HTR2A
SCHEMBL5430224 0.91 KDM4E (0.77) KDM4EHTR1ADRD2DRD3HTR2A
SCHEMBL5442120 0.88 HTR1A (0.62) KDM4EHTR1ADRD2DRD3HTR2A
SCHEMBL5440770 0.88 MAPT (0.65) KDM4EDRD2HTR2ASIGMAR1HTR2C
SCHEMBL5425415 0.87 KDM4E (0.70) KDM4EHTR1ADRD2DRD3MAPT
SCHEMBL11102735 0.87 MAPT (0.64) KDM4EDRD2SIGMAR1MAPTADRA1D
SCHEMBL5430709 0.85 DRD2 (0.57) KDM4EDRD2HTR2AHTR2CMAPT
SCHEMBL5436548 0.84 SIGMAR1 (0.61) KDM4EHTR1ADRD2DRD3HTR2A
SCHEMBL5430198 0.84 MAPT (0.67) KDM4EDRD2SIGMAR1MAPTADRA1D

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-20120232094-A1 USE OF ADRENERGIC N-PHENYLPIPERAZINE ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND METHODS OF PREPARING THEM SOARES ROMEIRO LUIZ ANTONIO (BR) 2012-09-13 US disclosed
US-20070219213-A1 Use of Adrenergic N-Phenylpiperazine Antagonists, Pahrmaceutical Compositions Containning Them, and Methods of Preparing Them UNIAO BRASILIENSE DE EDUCACAO E CULTURA-UBEC (BR) 2007-09-20 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 (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-20120232094-A1 USE OF ADRENERGIC N-PHENYLPIPERAZINE ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND METHODS OF PREPARING THEM ADRB1, ADRA1D, ADRA1A KDM4E 3534/4885HTR1A 20/4885DRD2 80/4885
US-20070219213-A1 Use of Adrenergic N-Phenylpiperazine Antagonists, Pahrmaceutical Compositions Containning Them, and Methods of Preparing Them ADRA1D, ADRB1, ADRA1A KDM4E 2921/4885HTR1A 21/4885DRD2 134/4885

“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.