SCHEMBL5087669

SCHEMBL5087669

O=C(O)c1cccc2c1CNCC2

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PNMT P11086 9/20 0.56
PRCP P42785 1/20 0.56
CD44 P16070 2/20 0.47
MAOB P27338 1/20 0.47
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
HTR2C P28335 1/20 0.42

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
SCHEMBL29801575 1.00 PNMT (0.56) PNMTPRCPCD44MAOBADRA2A
Hydrochloric Acid SCHEMBL17822916 0.98 PNMT (0.54) PNMTPRCPCD44MAOBADRA2A
SCHEMBL30744757 0.88 CD44 (0.54) PNMTPRCPCD44MAOB
SCHEMBL2329950 0.88 CD44 (0.54) PNMTPRCPCD44MAOB
SCHEMBL15569496 0.86 PNMT (0.53) PNMTPRCPCD44MAOB
SCHEMBL29800858 0.86 PNMT (0.53) PNMTPRCPCD44MAOB
SCHEMBL6840295 0.86 PNMT (0.53) PNMTPRCPCD44MAOB
SCHEMBL29662964 0.85 ALDH1A1 (0.43) PNMTPRCPCD44
SCHEMBL1817879 0.85 ALDH1A1 (0.43) PNMTPRCPCD44
Hydrochloric Acid SCHEMBL2494227 0.85 PNMT (0.51) PNMTPRCPCD44MAOB

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107778230-A A kind of synthetic method of tetrahydro isoquinoline derivative 湖南华腾制药有限公司 2018-03-09 CN claimed
US-8809326-B2 Isoquinolinone Rho kinase inhibitors AERIE PHARMACEUTICALS, INC. (US) 2014-08-19 US claimed
CN-103788084-A Tetrahydroisoquinoline derivative and synthesis method thereof Hunan huateng pharmaceutical co ltd 2014-05-14 CN claimed
US-20080161297-A1 e.g. N-(7-Chloro-1-oxo-1,2-dihydro-isoquinolin-6-yl)-2-dimethylamino-2-phenyl-acetamide; hypertension, atherosclerosis, restenosis, stroke, heart failure, coronary vasospasm, cerebral vasospasm, ischemia/reperfusion injury, pulmonary hypertension, angina, myocardial infarction, ALCON INC. (CH) 2008-07-03 US claimed
EP-4364754-A2 ANTI-B7-H3 ANTIBODIES AND ANTIBODY DRUG CONJUGATES AbbVie Inc. (US) 2024-05-08 EP disclosed
US-20240115725-A1 Anti-EGFR Antibody-Drug Conjugates ABBVIE INC (US) 2024-04-11 US disclosed
US-20240058450-A1 BCL-XL Inhibitory Compounds Having Low Cell Permeability and Antibody Drug Conjugates Including the Same ABBVIE INC (US) 2024-02-22 US disclosed
EP-4281117-A1 ANTI-EGFR ANTIBODY-DRUG CONJUGATES AbbVie Inc. (US) 2023-11-29 EP disclosed
WO-2022159576-A1 ANTI-EGFR ANTIBODY-DRUG CONJUGATES ABBVIE INC. (US) 2022-07-28 WO disclosed
EP-3468996-B1 ANTI-EGFR ANTIBODY DRUG CONJUGATES ABBVIE INC (US) 2022-05-04 EP disclosed
EP-3468996-B1 ANTI-EGFR ANTIBODY DRUG CONJUGATES ABBVIE INC (US) 2022-05-04 EP disclosed
CN-109311843-B Azabenzimidazole derivatives as PI3K beta inhibitors 詹森药业有限公司 2021-10-08 CN disclosed
WO-2014144100-A2 SGC STIMULATORS NAKAI TAKASHI (US) 2014-09-18 WO disclosed
US-8809326-B2 Isoquinolinone Rho kinase inhibitors AERIE PHARMACEUTICALS, INC. (US) 2014-08-19 US disclosed
CN-103987711-A 8-carbamoyl-2- (2, 3-disubstituted pyridin-6-yl) -1,2,3, 4-tetrahydroisoquinoline derivatives as apoptosis inducers for the treatment of cancer and immune and autoimmune diseases ABBVIE INC 2014-08-13 CN disclosed
CN-103958508-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC 2014-07-30 CN disclosed
CN-103788084-A Tetrahydroisoquinoline derivative and synthesis method thereof Hunan huateng pharmaceutical co ltd 2014-05-14 CN disclosed
WO-2014066490-A1 BENZOXAZOLINONE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2014-05-01 WO disclosed
WO-2010101230-A1 QUINOXALINE COMPOUNDS アステラス製薬株式会社 (JP) 2010-09-10 WO disclosed
US-20080161297-A1 e.g. N-(7-Chloro-1-oxo-1,2-dihydro-isoquinolin-6-yl)-2-dimethylamino-2-phenyl-acetamide; hypertension, atherosclerosis, restenosis, stroke, heart failure, coronary vasospasm, cerebral vasospasm, ischemia/reperfusion injury, pulmonary hypertension, angina, myocardial infarction, ALCON INC. (CH) 2008-07-03 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 (3 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-20240115725-A1 Anti-EGFR Antibody-Drug Conjugates EGFR, ERBB2, ERBB3 PNMT 4598/4885PRCP 730/4885CD44 41/4885
US-20240058450-A1 BCL-XL Inhibitory Compounds Having Low Cell Permeability and Antibody Drug Conjugates Including the Same BCL2, BAX, BCL9 PNMT 4782/4885PRCP 1311/4885CD44 187/4885
US-20080161297-A1 e.g. N-(7-Chloro-1-oxo-1,2-dihydro-isoquinolin-6-yl)-2-dimethylamino-2-phenyl-acetamide; hypertension, atherosclerosis, restenosis, stroke, heart failure, coronary vasospasm, cerebral vasospasm, ischemia/reperfusion injury, pulmonary hypertension, angina, myocardial infarction, ROCK1, ROCK2, ARHGDIA PNMT 1536/4885PRCP 3932/4885CD44 4718/4885

“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.