Timolol

Timolol

SCHEMBL1629068

CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1.O=C(O)C=CC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1ADRB2

The experimentally established mechanism targets of Timolol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 known ✓ P07550 1/20 0.85
ADRB1 known ✓ P08588 1/20 0.85
SMN1; SMN2 Q16637 1/20 1.00
BLM P54132 1/20 1.00
CYP1A2 P05177 1/20 0.85
CYP3A4 P08684 1/20 0.85
HTR1A P08908 1/20 0.85
CYP2D6 P10635 1/20 0.85
ADRB3 P13945 1/20 0.85
NFKB1 P19838 1/20 0.85
DRD1 P21728 1/20 0.85
SIGMAR1 Q99720 1/20 0.85
TDP1 Q9NUW8 1/20 0.85
ALDH1A1 P00352 7/20 0.50
MAPT P10636 2/20 0.50
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
HTT P42858 2/20 0.48

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
Timolol SCHEMBL26233 1.00 SMN1; SMN2 (1.00) SMN1; SMN2BLMCYP1A2ADRB2ADRB1
Timolol SCHEMBL6828541 1.00 SMN1; SMN2 (1.00) SMN1; SMN2BLMCYP1A2ADRB2ADRB1
Timolol SCHEMBL28427209 1.00 SMN1; SMN2 (1.00) SMN1; SMN2BLMCYP1A2ADRB2ADRB1
Timolol SCHEMBL8093958 1.00 SMN1; SMN2 (1.00) SMN1; SMN2BLMCYP1A2ADRB2ADRB1
Timolol SCHEMBL1588402 1.00 SMN1; SMN2 (1.00) SMN1; SMN2BLMCYP1A2ADRB2ADRB1
Timolol SCHEMBL1428194 1.00 SMN1; SMN2 (1.00) SMN1; SMN2BLMCYP1A2ADRB2ADRB1
Timolol SCHEMBL41823 1.00 SMN1; SMN2 (1.00) SMN1; SMN2BLMCYP1A2ADRB2ADRB1
Timolol SCHEMBL30597567 1.00 SMN1; SMN2 (1.00) SMN1; SMN2BLMCYP1A2ADRB2ADRB1
Timolol SCHEMBL365528 0.99 SMN1; SMN2 (0.98) SMN1; SMN2BLMCYP1A2ADRB2ADRB1
Timolol SCHEMBL365527 0.99 SMN1; SMN2 (0.98) SMN1; SMN2BLMCYP1A2ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1109546-A1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2001-06-27 EP claimed
WO-2000004898-A1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2000-02-03 WO claimed
US-4195085-A Compositions and methods for treating glaucoma by the topical administration of t-butylamino-3-(4-morpholino-1,2,5-thiadiazol-3-yloxy-2-phopanol hydrogen maleate MERCK & CO., INC. (US) 1980-03-25 US claimed
US-12472273-B2 Sterilization process of timolol gel forming solution through aseptic filtration SENTISS PHARMA PRIVATE LIMITED (IN) 2025-11-18 US disclosed
US-20240092745-A1 DRUGS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS Graybug Vision, Inc. (US) 2024-03-21 US disclosed
US-20230143595-A1 A STERILIZATION PROCESS OF TIMOLOL GEL FORMING SOLUTION THROUGH ASEPTIC FILTRATION SENTISS PHARMA PRIVATE LIMITED (IN) 2023-05-11 US disclosed
EP-4126076-A1 A STERILIZATION PROCESS OF TIMOLOL GEL FORMING SOLUTION THROUGH ASEPTIC FILTRATION Sentiss Pharma Private Limited (IN) 2023-02-08 EP disclosed
US-11548861-B2 Drugs and compositions for the treatment of ocular disorders Graybug Vision, Inc. (US) 2023-01-10 US disclosed
WO-2021198911-A1 A STERILIZATION PROCESS OF TIMOLOL GEL FORMING SOLUTION THROUGH ASEPTIC FILTRATION SENTISS PHARMA PRIVATE LIMITED (IN) 2021-10-07 WO disclosed
US-20210040111-A1 DRUGS TO TREAT OCULAR DISORDERS Graybug Vision, Inc. (US) 2021-02-11 US disclosed
US-20200308162-A1 DRUGS AND COMPOSITIONS FOR OCULAR DELIVERY Graybug Vision, Inc. (US) 2020-10-01 US disclosed
EP-0509752-B1 Ophthalmic compositions comprising combinations of a carbonic anhydrase inhibitor and a beta-adrenergic antagonist MERCK & CO INC (US) 1999-08-04 EP disclosed
EP-0448856-B1 OPHTHALMIC PREPARATIONS COMPRISING TIMOLOL MALEATE CHATFIELD PHARMACEUTICALS LIMITED (GB) 1993-02-03 EP disclosed
WO-1992018124-A1 OPHTHALMIC COMPOSITIONS COMPRISING COMBINATIONS OF A CARBONIC ANHYDRASE INHIBITOR AND A β-ADRENERGIC ANTAGONIST MERCK & CO., INC. (US) 1992-10-29 WO disclosed
EP-0448856-A1 Ophthalmic preparations comprising timolol maleate CHATFIELD PHARMACEUTICALS LIMITED (GB) 1991-10-02 EP disclosed
US-4238485-A 1,2,5-THIADIAZOLE DERIVATIVE, THIAZIDE DIURETIC, HYPOTENSIVE AGENTS MERCK & CO., INC. (US) 1980-12-09 US disclosed
US-4195085-A Compositions and methods for treating glaucoma by the topical administration of t-butylamino-3-(4-morpholino-1,2,5-thiadiazol-3-yloxy-2-phopanol hydrogen maleate MERCK & CO., INC. (US) 1980-03-25 US disclosed
US-4195085-A Compositions and methods for treating glaucoma by the topical administration of t-butylamino-3-(4-morpholino-1,2,5-thiadiazol-3-yloxy-2-phopanol hydrogen maleate MERCK & CO., INC. (US) 1980-03-25 US disclosed
US-4178374-A SUBSTITUTED 1,2,5-THIADIAZOLE B-ADRENERGIC BLOCKING AGENT, PYRAZINE AND/OR THIAZIDE DIURETIC, TREATMENT OF HYPERTENSION MERCK & CO., INC. (US) 1979-12-11 US disclosed
US-4011217-A B-ADRENERGIC BLOCKING AGENTS MERCK SHARP & DOHME (I.A.) CORPORATION (US) 1977-03-08 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 (4 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-20210040111-A1 DRUGS TO TREAT OCULAR DISORDERS PDE6C, AGER, PDE6A ADRB2 875/4885ADRB1 627/4885SMN1; SMN2 2863/4885
US-11548861-B2 Drugs and compositions for the treatment of ocular disorders PDE6C, PDE6A, PDE6D ADRB2 669/4885ADRB1 561/4885SMN1; SMN2 1501/4885
US-20240092745-A1 DRUGS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS PDE6C, PDE6A, PDE6D ADRB2 669/4885ADRB1 561/4885SMN1; SMN2 1501/4885
US-20200308162-A1 DRUGS AND COMPOSITIONS FOR OCULAR DELIVERY AGER, PDE6B, PTGER1 ADRB2 185/4885ADRB1 59/4885SMN1; SMN2 240/4885

“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.