SCHEMBL5809583

SCHEMBL5809583

OCc1ccc2onc(OCc3ccccc3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
ACHE P22303 1/20 0.39
FAAH O00519 1/20 0.39

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
SCHEMBL6784895 0.86 MAOB (0.45) HTR2AHTR2CTSHRCA12CA1
SCHEMBL6785437 0.80 CA1 (0.44) HTR2AHTR2CTSHRSMN1; SMN2CA12
SCHEMBL5796491 0.78 LMNA (0.55) TSHRSMN1; SMN2CA1CA2ALDH1A1
SCHEMBL5823771 0.77 SMN1; SMN2 (0.48) SMN1; SMN2LMNAMAPK1HTT
SCHEMBL14692125 0.76 LMNA (0.56) TSHRSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL8945338 0.71 L3MBTL1 (0.46) ACHEMAOBMAOABRD4
SCHEMBL8290792 0.70 MAOB (0.52) CA12CA1CA2CA9LMNA
SCHEMBL10157718 0.70 HTR2C (0.47) HTR2AHTR2CTSHRCA12CA1
SCHEMBL8944942 0.70 L3MBTL1 (0.44) ACHEMAOBMAOA
SCHEMBL16981016 0.68 TTR (0.51) TSHRSMN1; SMN2LMNAHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615636-A1 BICYCLIC COMPOUNDS AS NR2B RECEPTOR ANTAGONISTS PFIZER INC. (US) 2006-01-18 EP disclosed
WO-2004089366-A1 BICYCLIC COMPOUNDS AS NR2B RECEPTOR ANTAGONISTS PFIZER JAPAN, INC. (JP) 2004-10-21 WO disclosed
US-20040204409-A1 Bicyclic compounds as NR2B receptor antagonists ANDO KAZUO (JP) 2004-10-14 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 (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-20040204409-A1 Bicyclic compounds as NR2B receptor antagonists GRIN1, GRIN2B, GRIN2A HTR2A 313/4885HTR2C 271/4885TSHR 2870/4885

“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.