SCHEMBL4183277

SCHEMBL4183277

O=C1COc2ccc(OCCCCBr)cc2N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.54
DRD2 P14416 2/20 0.54
HTR2A P28223 2/20 0.54
HTR7 P34969 1/20 0.54
HTR2B P41595 1/20 0.54
HTR6 P50406 1/20 0.54
ADRB2 P07550 1/20 0.53
SLC6A4 P31645 1/20 0.53
MAPT P10636 6/20 0.51
RXFP1 Q9HBX9 1/20 0.51
PARP1 P09874 1/20 0.50
MMP12 P39900 1/20 0.50
ALDH1A1 P00352 6/20 0.49
POLB P06746 2/20 0.48
GAA P10253 1/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.46
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45

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
SCHEMBL4187398 0.96 HTR1A (0.53) HTR1ADRD2HTR2AHTR7HTR2B
SCHEMBL4178218 0.92 MMP12 (0.52) HTR1ADRD2HTR2AHTR7HTR2B
SCHEMBL29248122 0.88 HTR1A (0.58) HTR1ADRD2HTR2AHTR7HTR2B
SCHEMBL13927907 0.84 HTR1A (0.55) HTR1ADRD2HTR2AHTR7HTR2B
Hydrochloric Acid SCHEMBL4193851 0.83 HTR1A (0.54) HTR1ADRD2HTR2AHTR7HTR2B
SCHEMBL4187181 0.82 HTR1A (0.58) HTR1ADRD2HTR2AHTR7HTR2B
SCHEMBL7844474 0.77 MMP12 (0.51) HTR1ADRD2HTR2AHTR7HTR2B
SCHEMBL5496459 0.76 MAOB (0.61) DRD2PARP1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL10923933 0.76 MAPT (0.63) HTR1ADRD2HTR2AMAPTRXFP1
SCHEMBL705600 0.76 MAPT (0.64) DRD2MAPTRXFP1PARP1MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2009-02-12 US disclosed
US-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2009-02-12 US disclosed
US-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2009-02-12 US disclosed
WO-2008150848-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2008-12-11 WO disclosed
WO-2008150848-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2008-12-11 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-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS HTR5A, CRH, CYP17A1 HTR1A 77/4885DRD2 24/4885HTR2A 56/4885

“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.