SCHEMBL6282395

SCHEMBL6282395

Brc1ccc2c(c1)CC[C@H](CNCc1ccccc1)O2

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.65
DRD4 P21917 10/20 0.65
DRD3 P35462 10/20 0.65
DRD1 P21728 2/20 0.65
DRD5 P21918 2/20 0.65
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55

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
SCHEMBL6028601 0.86 DRD2 (0.63) DRD2DRD4DRD3DRD1DRD5
SCHEMBL22614226 0.86 DRD2 (0.69) DRD2DRD4DRD3DRD1DRD5
SCHEMBL8864160 0.85 DRD2 (0.72) DRD2DRD4DRD3DRD1DRD5
SCHEMBL8864198 0.85 DRD2 (0.72) DRD2DRD4DRD3DRD1DRD5
SCHEMBL5640879 0.85 DRD2 (0.72) DRD2DRD4DRD3DRD1DRD5
Hydrochloric Acid SCHEMBL8864139 0.85 DRD2 (0.62) DRD2DRD4DRD3DRD1DRD5
Hydrochloric Acid SCHEMBL8864132 0.85 DRD2 (0.62) DRD2DRD4DRD3DRD1DRD5
Hydrochloric Acid SCHEMBL8864656 0.85 DRD2 (0.62) DRD2DRD4DRD3DRD1DRD5
Bromide SCHEMBL6281511 0.84 DRD2 (0.70) DRD2DRD4DRD3DRD1DRD5
SCHEMBL10367377 0.82 HTR1A (0.49) DRD2DRD4DRD3DRD1DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699860-B2 ADRENERGIC BLOCKING AGENTS BAYER PHARMACEUTICALS CORPORATION 2004-03-02 US claimed
US-20030078258-A1 Di-substituted aminomethyl-chroman derivative beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2003-04-24 US claimed
US-20050215594-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION (US) 2005-09-29 US disclosed
US-6919371-B2 2,6-substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION (US) 2005-07-19 US disclosed
EP-1389202-B1 2,6-SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER PHARMACEUTICALS CORP (US) 2004-09-29 EP disclosed
US-20040072828-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2004-04-15 US disclosed
US-6699860-B2 ADRENERGIC BLOCKING AGENTS BAYER PHARMACEUTICALS CORPORATION 2004-03-02 US disclosed
US-6660752-B2 Adrenergic blocking agents BAYER PHARMACEUTICALS CORPORATION 2003-12-09 US disclosed
US-20030078260-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2003-04-24 US disclosed
US-20030078258-A1 Di-substituted aminomethyl-chroman derivative beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2003-04-24 US 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 (4 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-20050215594-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 DRD2 162/4885DRD4 366/4885DRD3 70/4885
US-20040072828-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 DRD2 162/4885DRD4 366/4885DRD3 70/4885
US-20030078260-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 DRD2 162/4885DRD4 366/4885DRD3 70/4885
US-20030078258-A1 Di-substituted aminomethyl-chroman derivative beta-3 adrenoreceptor agonists ADRB3, ADRB1, ADRB2 DRD2 108/4885DRD4 184/4885DRD3 37/4885

“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.