SCHEMBL4178800

SCHEMBL4178800

O=C1COc2ccc(CC3CCCN(C(=O)O)C3)c(F)c2N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.47
HTR1D P28221 4/20 0.47
HTR1B P28222 4/20 0.47
ADRB1 P08588 2/20 0.45
DRD2 P14416 2/20 0.45
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR7 P34969 2/20 0.45
DRD3 P35462 2/20 0.45
HTR2B P41595 1/20 0.43
SLC6A4 P31645 1/20 0.41
NR3C1 P04150 1/20 0.39
NR3C2 P08235 1/20 0.39
EED O75530 1/20 0.37
TRPV1 Q8NER1 5/20 0.36
MGLL Q99685 2/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
MAPT P10636 1/20 0.34
USP30 Q70CQ3 1/20 0.34

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
SCHEMBL13982037 0.85 HTR1A (0.47) HTR1AHTR1DHTR1BADRB1DRD2
SCHEMBL13927953 0.82 HTR1A (0.46) HTR1AHTR1DHTR1BADRB1DRD2
SCHEMBL13950983 0.81 HTR1A (0.50) HTR1AHTR1DHTR1BADRB1DRD2
SCHEMBL13981900 0.80 HTR1A (0.47) HTR1AHTR1DHTR1BADRB1DRD2
SCHEMBL13927941 0.77 EED (0.46) HTR1AHTR1DHTR1BADRB1DRD2
Hydrochloric Acid SCHEMBL4491277 0.76 EED (0.45) HTR1AHTR1DHTR1BADRB1DRD2
Hydrochloric Acid SCHEMBL6831458 0.75 HTR1A (0.49) HTR1AHTR1DHTR1BADRB1DRD2
SCHEMBL4183108 0.72 HTR1A (0.46) HTR1AHTR1DHTR1BADRB1DRD2
SCHEMBL13927946 0.71 HTR1A (0.55) HTR1AHTR1DHTR1BADRB1DRD2
SCHEMBL24775925 0.69 HTR1A (0.43) HTR1AHTR1DHTR1BADRB1DRD2

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-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

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.