SCHEMBL4183456

SCHEMBL4183456

Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCC(Cc2ccc4c(c2F)NC(=O)CO4)CC1)O3

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 0.63
HTR1D P28221 9/20 0.63
HTR1B P28222 8/20 0.63
DRD2 P14416 5/20 0.61
DRD3 P35462 5/20 0.61
ADRB1 P08588 4/20 0.61
HTR7 P34969 4/20 0.61
HTR2A P28223 3/20 0.61
HTR2C P28335 3/20 0.61
HTR2B P41595 2/20 0.59
SLC6A4 P31645 2/20 0.52
CYP3A4 P08684 1/20 0.46
CYP2C8 P10632 1/20 0.46
DRD4 P21917 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTR6 P50406 1/20 0.44

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
SCHEMBL13927817 0.91 HTR1A (0.55) HTR1AHTR1DHTR1BDRD2DRD3
SCHEMBL13927946 0.91 HTR1A (0.55) HTR1AHTR1DHTR1BDRD2DRD3
SCHEMBL4189739 0.84 HTR1A (0.63) HTR1AHTR1DHTR1BDRD2DRD3
Hydrochloric Acid SCHEMBL4195586 0.83 HTR1A (0.62) HTR1AHTR1DHTR1BDRD2DRD3
Hydrochloric Acid SCHEMBL4184483 0.83 HTR1A (0.62) HTR1AHTR1DHTR1BDRD2DRD3
SCHEMBL4185004 0.83 HTR1A (0.63) HTR1AHTR1DHTR1BDRD2DRD3
SCHEMBL13927811 0.80 HTR1D (0.55) HTR1AHTR1DHTR1BDRD2DRD3
Hydrochloric Acid SCHEMBL4189920 0.79 HTR1D (0.55) HTR1AHTR1DHTR1BDRD2DRD3
SCHEMBL4198528 0.77 HTR1D (0.57) HTR1AHTR1DHTR1BDRD2SLC6A4
SCHEMBL6834118 0.77 HTR1D (1.00) HTR1AHTR1DHTR1BDRD2DRD3

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.