SCHEMBL25255240

SCHEMBL25255240

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

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PNMT P11086 15/20 0.54
ADRA2A P08913 2/20 0.42
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38

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
SCHEMBL30543101 1.00 PNMT (0.54) PNMTADRA2AADRA2BADRA2C
SCHEMBL25290515 1.00 PNMT (0.54) PNMTADRA2AADRA2BADRA2C
SCHEMBL21489595 0.75 PNMT (0.53) PNMTADRA2A
SCHEMBL29652240 0.75 PNMT (0.53) PNMTADRA2A
SCHEMBL16267716 0.75 PNMT (0.53) PNMTADRA2A
SCHEMBL26889205 0.75 EGLN1 (0.41) PNMTADRA2A
Hydrochloric Acid SCHEMBL25297543 0.74 GRIA2 (0.40)
Hydrochloric Acid SCHEMBL25297542 0.74 GRIA2 (0.40)
Hydrochloric Acid SCHEMBL30543105 0.74 GRIA2 (0.40)
SCHEMBL22944381 0.71 PNMT (0.59) PNMTADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12503442-B2 Phenyl-3,4-dihydroisoquinolin-2(1h)-yl-ethan-1-one derivatives as dopamine d1receptor positive allosteric modulators ELI LILLY AND COMPANY (US) 2025-12-23 US disclosed
EP-4200280-B1 PHENYL-3,4-DIHYDROISOQUINOLIN-2(1H)-YL-ETHAN-1-ONE DERIVATIVES AS DOPAMINE D1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS LILLY CO ELI (US) 2024-02-21 EP 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
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
CN-116601146-A Phenyl-3, 4-dihydroisoquinolin-2 (1H) -yl-ethan-1-one derivatives as positive allosteric modulators of dopamine D1 receptor 伊莱利利公司 2023-08-15 CN disclosed
EP-4200280-A1 PHENYL-3,4-DIHYDROISOQUINOLIN-2(1H)-YL-ETHAN-1-ONE DERIVATIVES AS DOPAMINE D1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS ELI LILLY AND COMPANY (US) 2023-06-28 EP disclosed
WO-2022076418-A1 PHENYL-3,4-DIHYDROISOQUINOLIN-2(1H)-YL-ETHAN-1-ONE DERIVATIVES AS DOPAMINE D1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS ELI LILLY AND COMPANY (US) 2022-04-14 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 (2 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 PNMT 173/4885ADRA2A 35/4885ADRA2B 66/4885
US-12503442-B2 Phenyl-3,4-dihydroisoquinolin-2(1h)-yl-ethan-1-one derivatives as dopamine d1receptor positive allosteric modulators HTR1D, ADRA1D, HTR1A PNMT 173/4885ADRA2A 35/4885ADRA2B 66/4885

“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.