SCHEMBL9849175

SCHEMBL9849175

COC(=O)NC(Cc1ccccc1Br)C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.52
CTSK P43235 1/20 0.52
POLB P06746 2/20 0.46
ATM Q13315 1/20 0.45
NLRP3 Q96P20 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.44
ALDH1A1 P00352 1/20 0.44
THRB P10828 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TACR1 P25103 1/20 0.43
OPRK1 P41145 3/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL16267699 1.00 CTSS (0.52) CTSSCTSKPOLBATMNLRP3
SCHEMBL9849180 1.00 CTSS (0.52) CTSSCTSKPOLBATMNLRP3
SCHEMBL32677103 0.90 CTSS (0.49) CTSSCTSKPOLBATMNLRP3
SCHEMBL32676842 0.90 CTSS (0.49) CTSSCTSKPOLBATMNLRP3
SCHEMBL32677127 0.90 CTSS (0.49) CTSSCTSKPOLBATMNLRP3
SCHEMBL2153385 0.88 TACR1 (0.46) CTSSCTSKPOLBATMNLRP3
SCHEMBL9849060 0.88 CTSS (0.55) CTSSCTSKALDH1A1KMT2A
SCHEMBL16267725 0.88 CTSS (0.55) CTSSCTSKALDH1A1KMT2A
SCHEMBL30082804 0.88 TACR1 (0.46) CTSSCTSKPOLBATMNLRP3
SCHEMBL2780646 0.88 CTSS (0.55) CTSSCTSKALDH1A1KMT2A

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 15 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
US-20250214977-A1 STAT6 INHIBITORS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2025-07-03 US disclosed
CN-111971282-B Pyrazolotetrahydroisoquinoline derivatives as dopamine D1 receptor positive modulators 伊莱利利公司 2024-03-19 CN 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
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
EP-3781560-B1 PYRAZO-TETRAHYDROISOQUINOLINE DERIVATIVES AS DOPAMINE D1 RECEPTOR POSITIVE MODULATORS LILLY CO ELI (US) 2022-08-24 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
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
US-20190322639-A1 DOPAMINE D1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS ELI LILLY AND COMPANY 2019-10-24 US disclosed
WO-2019204418-A1 PYRAZO-TETRAHYDROISOQUINOLINE DERIVATIVES AS DOPAMINE D1 RECEPTOR POSITIVE MODULATORS ELI LILLY AND COMPANY (US) 2019-10-24 WO disclosed
EP-0421436-A2 Substituted carboxytetrahydroisoquinolines and derivatives thereof having pharmaceutical activity WARNER-LAMBERT COMPANY (US) 1991-04-10 EP 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 (5 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 CTSS 2106/4885CTSK 3844/4885POLB 4263/4885
US-12503442-B2 Phenyl-3,4-dihydroisoquinolin-2(1h)-yl-ethan-1-one derivatives as dopamine d1receptor positive allosteric modulators HTR1D, ADRA1D, HTR1A CTSS 2106/4885CTSK 3844/4885POLB 4263/4885
US-20250214977-A1 STAT6 INHIBITORS AND USES THEREOF STAT6, STAT5B, STAT5A CTSS 2619/4885CTSK 1860/4885POLB 4132/4885
US-10611751-B2 Dopamine D1 receptor positive allosteric modulators ADRA1D, DRD2, HTR1D CTSS 2638/4885CTSK 3360/4885POLB 4049/4885
US-20190322639-A1 DOPAMINE D1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS ADRA1D, DRD2, HTR1D CTSS 2638/4885CTSK 3360/4885POLB 4049/4885

“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.