SCHEMBL1852509

SCHEMBL1852509

Clc1cccc2c1CNCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 8/20 1.00
▸ ADRA2A P08913 2/20 0.61
▸ ADRA2B P18089 2/20 0.61
▸ ADRA2C P18825 2/20 0.61
▸ PRCP P42785 1/20 0.56
▸ CD44 P16070 2/20 0.52
▸ MAOB P27338 1/20 0.52
▸ TAAR1 Q96RJ0 1/20 0.50
▸ HTR2C P28335 2/20 0.49
▸ HTR2A P28223 1/20 0.48
▸ HTR2B P41595 1/20 0.48
▸ CYP2D6 P10635 1/20 0.47
▸ ADRA1D P25100 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ ADRA1B P35368 1/20 0.47

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
Ammonia Solution, Strong SCHEMBL20358513 0.98 PNMT (0.96) PNMTADRA2AADRA2BADRA2CPRCP
Hydrochloric Acid SCHEMBL1124149 0.98 PNMT (0.96) PNMTADRA2AADRA2BADRA2CPRCP
SCHEMBL11331868 0.89 PNMT (0.79) PNMTADRA2AADRA2BADRA2CPRCP
SCHEMBL10879871 0.86 PNMT (0.75) PNMTADRA2AADRA2BADRA2CPRCP
SCHEMBL2750868 0.84 PNMT (0.72) PNMTADRA2AADRA2BADRA2CPRCP
SCHEMBL30199571 0.84 PNMT (0.72) PNMTADRA2AADRA2BADRA2CPRCP
SCHEMBL14677593 0.84 PNMT (0.72) PNMTADRA2AADRA2BADRA2CPRCP
Hydrochloric Acid SCHEMBL1124563 0.82 PNMT (0.70) PNMTADRA2AADRA2BADRA2CPRCP
SCHEMBL31158975 0.81 PNMT (0.68) PNMTADRA2AADRA2BADRA2CCD44
SCHEMBL3171440 0.81 PNMT (0.68) PNMTADRA2AADRA2BADRA2CCD44

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115043837-B Synthesis method and application of 4-imidazo-pyridinyl-thio-isoquinoline heterocyclic compound 河南工业大学 2024-02-20 — — CN claimed
CN-115043837-A Synthesis method and application of 4-imidazopyridinylthioisoquinoline heterocyclic compound 河南工业大学 2022-09-13 — — CN claimed
US-12540134-B2 Inhibitors of adrenoreceptor ADRAC2 BAYER AKTIENGESELLSCHAFT (DE) 2026-02-03 — — US disclosed
US-12209092-B2 Inhibitors of GLI1 as therapeutic agents NEW YORK UNIVERSITY (US) 2025-01-28 — — US disclosed
WO-2024201248-A1 COMPOUNDS AND METHODS FOR DEGRADING GSPT1 PIN THERAPEUTICS, INC. (KR) 2024-10-03 — — WO disclosed
US-11993591-B2 Chromen-4-one derivatives for the treatment and prophylaxis of hepatitis B virus disease HOFFMANN-LA ROCHE INC. (US) 2024-05-28 — — US disclosed
CN-115043837-B Synthesis method and application of 4-imidazo-pyridinyl-thio-isoquinoline heterocyclic compound 河南工业大学 2024-02-20 — — CN disclosed
US-20230115270-A1 INHIBITORS OF ADRENORECEPTOR ADRAC2 BAYER AKTIENGESELLSCHAFT (DE) 2023-04-13 — — US disclosed
EP-3883932-B1 INHIBITORS OF GLI1 AS THERAPEUTIC AGENTS UNIV NEW YORK (US) 2023-03-29 — — EP disclosed
US-20220402897-A1 CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN-LA ROCHE INC. (US) 2022-12-22 — — US disclosed
CN-115043837-A Synthesis method and application of 4-imidazopyridinylthioisoquinoline heterocyclic compound 河南工业大学 2022-09-13 — — CN disclosed
EP-1448547-A1 PYRIDINE DERIVATIVES AS NMDA RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-25 — — EP disclosed
WO-2004069826-A1 MALONAMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-19 — — WO disclosed
US-20030119870-A1 Pyridine substituted isoquinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-06-26 — — US disclosed
WO-2003040128-A1 PYRIDINE DERIVATIVES AS NMDA RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-15 — — WO disclosed
CN-1087294-C Novel compounds SMITHKLINE BEECHAM PLC (GB) 2002-07-10 — — CN disclosed
CN-1261883-A Novel compounds SMITHKLINE BEECHAM PLC (GB) 2000-08-02 — — CN disclosed
EP-0038177-B1 ANTIALLERGIC IMIDODISULFAMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR THEIR PREPARATION SMITHKLINE BECKMAN CORPORATION (US) 1983-08-31 — — EP disclosed
US-4315935-A INHIBITING THE SYMPTOMS OF ASTHMA SMITHKLINE CORPORATION (US) 1982-02-16 — — US disclosed
EP-0038177-A1 Antiallergic imidodisulfamides, pharmaceutical compositions containing them and process for their preparation SMITHKLINE BECKMAN CORPORATION (US) 1981-10-21 — — 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 (6 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-12209092-B2 Inhibitors of GLI1 as therapeutic agents GLI1, GLI2, SHH PNMT 3529/4885ADRA2A 4682/4885ADRA2B 4693/4885
US-11993591-B2 Chromen-4-one derivatives for the treatment and prophylaxis of hepatitis B virus disease HAVCR2, CYP7A1, CYP26B1 PNMT 2821/4885ADRA2A 1477/4885ADRA2B 601/4885
US-20220402897-A1 CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HAVCR2, CYP7A1, CYP26B1 PNMT 2821/4885ADRA2A 1477/4885ADRA2B 601/4885
US-12540134-B2 Inhibitors of adrenoreceptor ADRAC2 ADRA2C, ADRB3, ADRB2 PNMT 559/4885ADRA2A 7/4885ADRA2B 9/4885
US-20230115270-A1 INHIBITORS OF ADRENORECEPTOR ADRAC2 ADRA2C, ADRB2, ADRB3 PNMT 265/4885ADRA2A 4/4885ADRA2B 5/4885
US-20030119870-A1 Pyridine substituted isoquinoline derivatives GRIN1, GRIN2C, GRIN2A PNMT 457/4885ADRA2A 616/4885ADRA2B 746/4885

“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.

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