SCHEMBL4189739

SCHEMBL4189739

Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCC(Cc2ccc4c(c2)NC(=O)CO4)CC1)O3

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 18/20 0.63
HTR1D P28221 16/20 0.63
HTR1B P28222 12/20 0.63
DRD2 P14416 2/20 0.62
HTR2A P28223 2/20 0.62
SLC6A4 P31645 2/20 0.62
HTR2B P41595 2/20 0.62
ADRB1 P08588 1/20 0.62
HTR7 P34969 1/20 0.62
DRD3 P35462 1/20 0.62
HTR2C P28335 1/20 0.50
KCNH2 Q12809 1/20 0.50

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 SCHEMBL4184483 0.99 HTR1A (0.62) HTR1AHTR1DHTR1BDRD2HTR2A
Hydrochloric Acid SCHEMBL4195586 0.99 HTR1A (0.62) HTR1AHTR1DHTR1BDRD2HTR2A
SCHEMBL13927811 0.92 HTR1D (0.55) HTR1AHTR1DHTR1BDRD2HTR2A
Hydrochloric Acid SCHEMBL4189920 0.92 HTR1D (0.55) HTR1AHTR1DHTR1BDRD2HTR2A
SCHEMBL13927809 0.91 HTR1D (0.55) HTR1AHTR1DHTR1BDRD2HTR2A
Hydrochloric Acid SCHEMBL4182874 0.90 HTR1D (0.54) HTR1AHTR1DHTR1BDRD2HTR2A
SCHEMBL4185004 0.90 HTR1A (0.63) HTR1AHTR1DHTR1BDRD2HTR2A
SCHEMBL4189977 0.89 DRD2 (0.63) HTR1AHTR1DHTR1BDRD2HTR2A
SCHEMBL4195524 0.85 HTR1D (0.57) HTR1AHTR1DHTR1BDRD2SLC6A4
SCHEMBL4198528 0.85 HTR1D (0.57) HTR1AHTR1DHTR1BDRD2SLC6A4

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 4 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

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.