SCHEMBL5435317

SCHEMBL5435317

Fc1ccc(N2CCN(CCOc3ccc4c(c3)OCO4)CC2)cc1.c1ccc(N2CCN(CCOc3ccc4c(c3)OCO4)CC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.78
MEN1 O00255 1/20 0.78
CYP1A2 P05177 1/20 0.78
CYP3A4 P08684 1/20 0.78
CYP2D6 P10635 1/20 0.78
CYP2C9 P11712 1/20 0.78
TSHR P16473 1/20 0.78
MAPK1 P28482 1/20 0.78
CYP2C19 P33261 1/20 0.78
KMT2A Q03164 1/20 0.78
TDP1 Q9NUW8 1/20 0.78
SLC6A2 P23975 3/20 0.67
SLC6A4 P31645 3/20 0.67
ALDH1A1 P00352 2/20 0.62
DRD2 P14416 7/20 0.62
DRD3 P35462 5/20 0.62
HTR1A P08908 3/20 0.62
HTR2A P28223 2/20 0.62
HRH1 P35367 1/20 0.62
TMEM97 Q5BJF2 1/20 0.62

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
SCHEMBL5430624 0.96 MAPT (0.69) MAPTMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL5431884 0.93 MAPT (0.88) MAPTMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL5432917 0.90 MAPT (0.79) MAPTMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL2216839 0.88 MAPT (1.00) MAPTMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL5424036 0.84 MAPT (0.69) MAPTMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL5439549 0.84 MAPT (0.69) MAPTMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL5425415 0.81 KDM4E (0.70) MAPTMEN1CYP1A2CYP3A4CYP2D6
Maleic Acid SCHEMBL1935564 0.80 MAPT (0.84) MAPTMEN1CYP1A2CYP3A4CYP2D6
Fumaric Acid SCHEMBL1935565 0.80 MAPT (0.84) MAPTMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL5438999 0.79 KDM4E (0.67) MAPTMEN1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20070219213-A1 Use of Adrenergic N-Phenylpiperazine Antagonists, Pahrmaceutical Compositions Containning Them, and Methods of Preparing Them ADRA1D, ADRB1, ADRA1A MAPT 1078/4885MEN1 1791/4885CYP1A2 87/4885

“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.