SCHEMBL26889205

SCHEMBL26889205

O=C(O)[C@H]1Cc2c(ccc(F)c2Br)CN1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.41
GRIA2 P42262 1/20 0.41
SCN3A Q9NY46 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
ADRA2A P08913 1/20 0.31
PNMT P11086 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31

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
Hydrochloric Acid SCHEMBL25297543 0.99 GRIA2 (0.40) EGLN1GRIA2SCN3AGAAMAPT
Hydrochloric Acid SCHEMBL30543105 0.99 GRIA2 (0.40) EGLN1GRIA2SCN3AGAAMAPT
Hydrochloric Acid SCHEMBL25297542 0.99 GRIA2 (0.40) EGLN1GRIA2SCN3AGAAMAPT
SCHEMBL16268692 0.76 EGLN1 (0.43) EGLN1GRIA2GAAMAPT
SCHEMBL31651974 0.76 EGLN1 (0.43) EGLN1GRIA2GAAMAPT
SCHEMBL30543100 0.76 EGLN1 (0.43) EGLN1GRIA2GAAMAPT
SCHEMBL25290515 0.75 PNMT (0.54) ADRA2APNMT
Hydrochloric Acid SCHEMBL32677093 0.75 EGLN1 (0.42) EGLN1GRIA2GAAMAPT
SCHEMBL25255240 0.75 PNMT (0.54) ADRA2APNMT
Hydrochloric Acid SCHEMBL16267702 0.75 EGLN1 (0.42) EGLN1GRIA2GAAMAPT

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-20230382869-A1 Phenyl-3,4-dihydroisoquinolin-2(1h)-yl-ethan-1-one derivatives as dopamine d1receptor positive allosteric modulators ELI LILLY AND COMPANY 2023-11-30 US disclosed
US-20230382869-A1 Phenyl-3,4-dihydroisoquinolin-2(1h)-yl-ethan-1-one derivatives as dopamine d1receptor positive allosteric modulators ELI LILLY AND COMPANY 2023-11-30 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-20230382869-A1 Phenyl-3,4-dihydroisoquinolin-2(1h)-yl-ethan-1-one derivatives as dopamine d1receptor positive allosteric modulators HTR1D, ADRA1D, HTR1A EGLN1 3792/4885GRIA2 186/4885SCN3A 1603/4885

“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.