SCHEMBL6292853

SCHEMBL6292853

c1ccc(C2CCc3ccccc3O2)nc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.45
HTR1D P28221 6/20 0.45
ROCK2 O75116 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
CA2 P00918 2/20 0.38
KDM4E B2RXH2 2/20 0.37
LDHA P00338 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL10599679 0.83 LDHA (0.44) HTR1AHTR1DKDM4ELDHAALDH1A1
SCHEMBL6291943 0.83 ESR1 (0.59) KDM4ELDHAALDH1A1
SCHEMBL11039123 0.83 ESR1 (0.43) KDM4ELDHAALDH1A1
SCHEMBL6296267 0.83 ESR2 (0.59)
SCHEMBL1933116 0.83 ESR1 (0.40) HTR1AHTR1DDDB1CRBNKDM4E
SCHEMBL12556044 0.83 ESR1 (0.40) KDM4EALDH1A1
SCHEMBL13820745 0.80 FFAR1 (0.42)
SCHEMBL9377919 0.79 MAOB (0.48) DDB1CRBNKDM4ELDHAALDH1A1
SCHEMBL31031150 0.79 HTR1A (0.40) HTR1AHTR1DROCK2CA2
SCHEMBL31031169 0.79 HTR1A (0.41) HTR1AHTR1DCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999001453-A1 A PROCESS FOR THE MANUFACTURE OF OPTICALLY ACTIVE CHROMANYLPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-01-14 WO claimed
EP-0025600-B1 2-PYRIDYL CHROMANS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1984-12-19 EP claimed
US-6846817-B2 Nicotine receptor ligands REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2005-01-25 US disclosed
US-20030027810-A1 Nicotine receptor ligands REGENTS OF THE UNIVERSITY OF MINNESOTA 2003-02-06 US disclosed
WO-2000073269-A2 NICOTINE RECEPTOR LIGANDS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2000-12-07 WO disclosed
WO-1999001453-A1 A PROCESS FOR THE MANUFACTURE OF OPTICALLY ACTIVE CHROMANYLPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-01-14 WO disclosed
WO-1999001453-A1 A PROCESS FOR THE MANUFACTURE OF OPTICALLY ACTIVE CHROMANYLPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-01-14 WO disclosed
US-4563468-A ANTI-RHINOVIRUS 2-PYRIDYLCHROMANS BURROUGHS WELLCOME CO. (US) 1986-01-07 US disclosed
US-4563468-A ANTI-RHINOVIRUS 2-PYRIDYLCHROMANS BURROUGHS WELLCOME CO. (US) 1986-01-07 US disclosed
EP-0025600-B1 2-PYRIDYL CHROMANS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1984-12-19 EP disclosed
EP-0025600-B1 2-PYRIDYL CHROMANS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1984-12-19 EP disclosed
EP-0025600-A1 2-Pyridyl chromans and pharmaceutical compositions containing them THE WELLCOME FOUNDATION LIMITED (GB) 1981-03-25 EP disclosed
EP-0025600-A1 2-Pyridyl chromans and pharmaceutical compositions containing them THE WELLCOME FOUNDATION LIMITED (GB) 1981-03-25 EP 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-20030027810-A1 Nicotine receptor ligands CHRNA1, CHRNB1, CHRNA9 HTR1A 77/4885HTR1D 82/4885ROCK2 1900/4885

“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.