SCHEMBL13950797

SCHEMBL13950797

O=C1COc2c(F)cc(CC3CCCCC3)cc2N1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.49
HTR1D P28221 6/20 0.49
HTR1B P28222 6/20 0.49
HTR7 P34969 2/20 0.49
DRD3 P35462 2/20 0.49
DRD2 P14416 3/20 0.47
HTR2A P28223 3/20 0.47
ADRB1 P08588 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
PTPN1 P18031 2/20 0.42
NR3C2 P08235 5/20 0.41
NR3C1 P04150 2/20 0.41
PGR P06401 1/20 0.41
SLC6A4 P31645 1/20 0.39
PARP1 P09874 2/20 0.37
ADRB2 P07550 1/20 0.35
IL4I1 Q96RQ9 1/20 0.35
GRIN1 Q05586 1/20 0.35

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
Hydrochloric Acid SCHEMBL6825820 0.88 HTR1A (0.48) HTR1AHTR1DHTR1BHTR7DRD3
SCHEMBL13927936 0.87 HTR1A (0.44) HTR1AHTR1DHTR1BHTR7DRD3
Hydrochloric Acid SCHEMBL4191724 0.86 HTR1A (0.44) HTR1AHTR1DHTR1BHTR7DRD3
SCHEMBL4183108 0.81 HTR1A (0.46) HTR1AHTR1DHTR1BHTR7DRD3
SCHEMBL13927938 0.80 HTR1A (0.45) HTR1AHTR1DHTR1BHTR7DRD3
SCHEMBL13981942 0.79 HTR1A (0.46) HTR1AHTR1DHTR1BHTR7DRD3
SCHEMBL13343852 0.78 HTR1A (0.44) HTR1AHTR1DHTR1BHTR7DRD3
SCHEMBL5343358 0.78 HTR1A (0.44) HTR1AHTR1DHTR1BHTR7DRD3
SCHEMBL13369127 0.78 PARP1 (0.56) HTR1AHTR1DHTR1BHTR7DRD3
SCHEMBL4179763 0.76 HTR1A (0.48) HTR1AHTR1DHTR1BHTR7DRD3

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-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2009-02-12 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-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS HTR5A, CRH, CYP17A1 HTR1A 77/4885HTR1D 80/4885HTR1B 60/4885

“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.