SCHEMBL4195524

SCHEMBL4195524

Cc1ccc2c3c(ccc2n1)OCC(CN1CCC(Oc2ccc4c(c2)NC(=O)CO4)CC1)O3

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 7/20 0.57
HTR1A P08908 16/20 0.55
HTR1B P28222 4/20 0.55
DRD2 P14416 1/20 0.49
ADRA1D P25100 1/20 0.49
SLC6A4 P31645 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49

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
SCHEMBL4198528 1.00 HTR1D (0.57) HTR1DHTR1AHTR1BDRD2ADRA1D
Hydrochloric Acid SCHEMBL4184484 0.99 HTR1D (0.56) HTR1DHTR1AHTR1BDRD2ADRA1D
SCHEMBL13927802 0.95 HTR1A (0.57) HTR1DHTR1AHTR1BDRD2SLC6A4
SCHEMBL13927805 0.95 HTR1A (0.57) HTR1DHTR1AHTR1BDRD2SLC6A4
Hydrochloric Acid SCHEMBL4198570 0.95 HTR1A (0.56) HTR1DHTR1AHTR1BDRD2SLC6A4
Hydrochloric Acid SCHEMBL4191437 0.95 HTR1A (0.56) HTR1DHTR1AHTR1BDRD2SLC6A4
SCHEMBL4189183 0.91 HTR1A (0.56) HTR1DHTR1AHTR1BDRD2SLC6A4
SCHEMBL4188619 0.91 HTR1A (0.56) HTR1DHTR1AHTR1BDRD2SLC6A4
SCHEMBL13927808 0.90 SLC6A4 (0.63) HTR1DHTR1AHTR1BDRD2ADRA1D
Hydrochloric Acid SCHEMBL4187177 0.89 SLC6A4 (0.62) HTR1DHTR1AHTR1BDRD2ADRA1D

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 HTR1D 80/4885HTR1A 77/4885HTR1B 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.