SCHEMBL21489564

SCHEMBL21489564

C[SiH](C)C(C)(C)COC[C@H]1Cc2c(Br)cccc2CN1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
KCNH2 Q12809 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL16271249 0.79 PNMT (0.37) PNMTADRA2AADRA2BADRA2CKDM4E
SCHEMBL16267617 0.78 KDM4E (0.39) KDM4EALDH1A1
SCHEMBL21496903 0.78 PNMT (0.44) PNMTADRA2AADRA2BADRA2C
SCHEMBL29570993 0.76 CXCR4 (0.32) PNMTADRA2AADRA2BADRA2CKCNH2
SCHEMBL16267704 0.76 CXCR4 (0.32) PNMTADRA2AADRA2BADRA2CKCNH2
SCHEMBL29886302 0.72
SCHEMBL16267716 0.71 PNMT (0.53) PNMTADRA2A
SCHEMBL21489595 0.71 PNMT (0.53) PNMTADRA2A
SCHEMBL29652240 0.71 PNMT (0.53) PNMTADRA2A
SCHEMBL25251593 0.71 ABHD6 (0.36) PNMT

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 19 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-4263522-B1 DIHYDROISOQUINOLINYL DERIVATIVES UCB Biopharma SRL (BE) 2024-10-02 EP disclosed
EP-4263517-B1 A SUBSTITUTED TETRAHYDROISOQUINOLINE DERIVATIVE AS A D1 POSITIVE ALLOSTERIC MODULATOR UCB Biopharma SRL (BE) 2024-10-02 EP disclosed
CN-111971282-B Pyrazolotetrahydroisoquinoline derivatives as dopamine D1 receptor positive modulators 伊莱利利公司 2024-03-19 CN disclosed
US-20240083875-A1 DIHYDROISOQUINOLINYL DERIVATIVES UCB Biopharma SRL (BE) 2024-03-14 US disclosed
US-20240059665-A1 A Substituted Tetrahydroisoquinoline Derivative As A D1 Positive Allosteric Modulator UCB Biopharma SRL (BE) 2024-02-22 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-20240043400-A1 Octahydroisoquinolinyl Derivatives UCB Biopharma SRL (BE) 2024-02-08 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
EP-4263522-A1 DIHYDROISOQUINOLINYL DERIVATIVES UCB Biopharma SRL (BE) 2023-10-25 EP 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-3781560-B1 PYRAZO-TETRAHYDROISOQUINOLINE DERIVATIVES AS DOPAMINE D1 RECEPTOR POSITIVE MODULATORS LILLY CO ELI (US) 2022-08-24 EP disclosed
US-20220259179-A1 A Substituted Tetrahydroisoquinoiline Derivative as a D1 Positive Allosteric Modulator UCB BIOPHARMA SRL (SOCIETE A RESPONSABILITE LIMITEE) (BE) 2022-08-18 US disclosed
WO-2022129303-A1 DIHYDROISOQUINOLINYL DERIVATIVES UCB Biopharma SRL (BE) 2022-06-23 WO disclosed
EP-3781560-A1 PYRAZO-TETRAHYDROISOQUINOLINE DERIVATIVES AS DOPAMINE D1 RECEPTOR POSITIVE MODULATORS Eli Lilly and Company (US) 2021-02-24 EP disclosed
CN-111971282-A Pyrazolotetrahydroisoquinoline derivatives as positive modulators of dopamine D1 receptor 伊莱利利公司 2020-11-20 CN disclosed
US-10611751-B2 Dopamine D1 receptor positive allosteric modulators ELI LILLY AND COMPANY (US) 2020-04-07 US disclosed
WO-2019204418-A1 PYRAZO-TETRAHYDROISOQUINOLINE DERIVATIVES AS DOPAMINE D1 RECEPTOR POSITIVE MODULATORS ELI LILLY AND COMPANY (US) 2019-10-24 WO disclosed
US-20190322639-A1 DOPAMINE D1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS ELI LILLY AND COMPANY 2019-10-24 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 (8 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
US-20220259179-A1 A Substituted Tetrahydroisoquinoiline Derivative as a D1 Positive Allosteric Modulator OPRD1, ADRA1D, GPR52 PNMT 963/4885ADRA2A 31/4885ADRA2B 22/4885
US-20240083875-A1 DIHYDROISOQUINOLINYL DERIVATIVES OPRD1, GPER1, ADRA1D PNMT 1691/4885ADRA2A 17/4885ADRA2B 26/4885
US-20240059665-A1 A Substituted Tetrahydroisoquinoline Derivative As A D1 Positive Allosteric Modulator OPRD1, ADRA1D, GPR52 PNMT 1516/4885ADRA2A 9/4885ADRA2B 15/4885
US-10611751-B2 Dopamine D1 receptor positive allosteric modulators ADRA1D, DRD2, HTR1D PNMT 422/4885ADRA2A 32/4885ADRA2B 66/4885
US-20240043400-A1 Octahydroisoquinolinyl Derivatives OPRD1, OPRK1, OPRL1 PNMT 1508/4885ADRA2A 19/4885ADRA2B 32/4885
US-20190322639-A1 DOPAMINE D1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS ADRA1D, DRD2, HTR1D PNMT 422/4885ADRA2A 32/4885ADRA2B 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.