SCHEMBL4189977

SCHEMBL4189977

Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCC(Cc2ccc4c(c2)NC(=O)CC4)CC1)O3

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.63
SLC6A4 P31645 5/20 0.63
ADRA1D P25100 3/20 0.63
ADRA1A P35348 3/20 0.63
ADRA1B P35368 3/20 0.63
HTR1A P08908 17/20 0.51
HTR1D P28221 7/20 0.51
HTR1B P28222 6/20 0.51
DRD3 P35462 2/20 0.50
ADRB1 P08588 1/20 0.50
HTR2A P28223 1/20 0.50
HTR7 P34969 1/20 0.50
HTR2B P41595 1/20 0.50
CYP3A4 P08684 1/20 0.47
CYP2C8 P10632 1/20 0.47
DRD4 P21917 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL4191312 0.91 SLC6A4 (0.52) DRD2SLC6A4ADRA1DADRA1AADRA1B
SCHEMBL4189739 0.89 HTR1A (0.63) DRD2SLC6A4HTR1AHTR1DHTR1B
Hydrochloric Acid SCHEMBL4195586 0.89 HTR1A (0.62) DRD2SLC6A4HTR1AHTR1DHTR1B
Hydrochloric Acid SCHEMBL4184483 0.89 HTR1A (0.62) DRD2SLC6A4HTR1AHTR1DHTR1B
SCHEMBL4189134 0.88 SLC6A4 (0.64) DRD2SLC6A4ADRA1DADRA1AADRA1B
SCHEMBL13927808 0.86 SLC6A4 (0.63) DRD2SLC6A4ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL4187177 0.85 SLC6A4 (0.62) DRD2SLC6A4ADRA1DADRA1AADRA1B
SCHEMBL13927818 0.85 HTR1A (0.51) DRD2SLC6A4ADRA1DADRA1AADRA1B
SCHEMBL4185004 0.84 HTR1A (0.63) DRD2SLC6A4HTR1AHTR1DHTR1B
SCHEMBL13927811 0.82 HTR1D (0.55) DRD2SLC6A4HTR1AHTR1DHTR1B

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 DRD2 24/4885SLC6A4 124/4885ADRA1D 191/4885

“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.