SCHEMBL4336592

SCHEMBL4336592

COc1ccc2[nH]cc(C3=CCN(Cc4ccc(C(=O)O)cc4)CC3)c2c1

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.82
DRD2 P14416 14/20 0.82
HTR2A P28223 4/20 0.65
DRD1 P21728 1/20 0.61
DRD3 P35462 1/20 0.61
SLC6A4 P31645 1/20 0.59
OPRM1 P35372 1/20 0.58
OPRK1 P41145 1/20 0.58
HTR1D P28221 1/20 0.56
HTR1B P28222 1/20 0.56

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
SCHEMBL13944275 0.92 HTR1A (0.80) HTR1ADRD2HTR2ADRD1DRD3
SCHEMBL27909660 0.90 HTR1A (1.00) HTR1ADRD2HTR2ADRD1DRD3
SCHEMBL4194997 0.88 HTR1A (1.00) HTR1ADRD2HTR2ADRD1DRD3
SCHEMBL27909555 0.87 HTR1A (0.88) HTR1ADRD2HTR2ADRD1DRD3
SCHEMBL13944353 0.83 DRD2 (0.79) HTR1ADRD2HTR2ASLC6A4OPRM1
SCHEMBL27860653 0.83 HTR1A (0.85) HTR1ADRD2HTR2ADRD1DRD3
SCHEMBL11786344 0.81 HTR1A (0.85) HTR1ADRD2HTR2ADRD1DRD3
SCHEMBL4178633 0.79 SLC6A4 (0.70) HTR1ADRD2HTR2ADRD1DRD3
SCHEMBL11313868 0.79 HTR1A (0.75) HTR1ADRD2HTR2ADRD1DRD3
SCHEMBL373815 0.79 HTR1A (0.71) HTR1ADRD2HTR2AOPRM1OPRK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029979-A1 5-HTX MODULATORS BIO-MEDISINSK INNOVASJON AS (NO) 2009-01-29 US claimed
EP-1902044-A1 5-HTX MODULATORS Bio Medisinsk Innovasjon AS (NO) 2008-03-26 EP claimed
WO-2007007072-A1 5-HTX MODULATORS BIO-MEDISINSK INNOVASJON AS (NO) 2007-01-18 WO claimed
US-20090029979-A1 5-HTX MODULATORS BIO-MEDISINSK INNOVASJON AS (NO) 2009-01-29 US disclosed
US-20090029979-A1 5-HTX MODULATORS BIO-MEDISINSK INNOVASJON AS (NO) 2009-01-29 US disclosed
US-20090029979-A1 5-HTX MODULATORS BIO-MEDISINSK INNOVASJON AS (NO) 2009-01-29 US disclosed
WO-2007007072-A1 5-HTX MODULATORS BIO-MEDISINSK INNOVASJON AS (NO) 2007-01-18 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-20090029979-A1 5-HTX MODULATORS HTR7, HTR5A, HTR2C HTR1A 4/4885DRD2 75/4885HTR2A 5/4885

“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.