SCHEMBL6472971

SCHEMBL6472971

O=C(O)C1Cc2c(F)ccc(O)c2CN1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.43
GRIA2 P42262 1/20 0.43
CYP1A2 P05177 1/20 0.33
HTR1A P08908 1/20 0.33
CYP2D6 P10635 1/20 0.33
DRD2 P14416 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 2/20 0.33
PMP22 Q01453 2/20 0.33
GLA P06280 1/20 0.33
APEX1 P27695 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL2082433 0.81 EGLN1 (0.43) EGLN1GRIA2CYP1A2CYP2D6TSHR
SCHEMBL4356965 0.81 EGLN1 (0.43) EGLN1GRIA2CYP1A2CYP2D6TSHR
SCHEMBL6503535 0.80 CYP1A2 (0.39) EGLN1GRIA2CYP1A2CYP2D6ALOX15
SCHEMBL25758885 0.73 GAA (0.42) EGLN1GRIA2CYP2D6TSHRMAPK1
SCHEMBL23036790 0.73 EGLN1 (0.44) EGLN1GRIA2DRD2GAAMAPT
SCHEMBL9548214 0.73 GAA (0.46) EGLN1GRIA2DRD2GAAMAPT
SCHEMBL1724844 0.73 EGLN1 (0.44) EGLN1GRIA2DRD2GAAMAPT
SCHEMBL26889205 0.73 EGLN1 (0.41) EGLN1GRIA2GAAMAPT
Hydrochloric Acid SCHEMBL25297543 0.72 GRIA2 (0.40) EGLN1GRIA2KMT2AGAAMAPT
Hydrochloric Acid SCHEMBL30543105 0.72 GRIA2 (0.40) EGLN1GRIA2KMT2AGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050153998-A1 Tetrahydroisoquinoline or isochroman compounds ITO FUMITAKA (JP) 2005-07-14 US disclosed
WO-2005016913-A1 TETRAHYDROISOQUINOLINE OR ISOCHROMAN COMPOUNDS AS ORL-1 RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AND CNS DISORDERS PFIZER JAPAN, INC. (JP) 2005-02-24 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-20050153998-A1 Tetrahydroisoquinoline or isochroman compounds OPRL1, NR1H3, HRH3 EGLN1 1574/4885GRIA2 116/4885CYP1A2 570/4885

“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.