SCHEMBL18938268

SCHEMBL18938268

CC(C)(C)NCCCOc1nsnc1N1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.64
CYP1A2 P05177 1/20 0.64
ADRB2 P07550 1/20 0.64
ADRB1 P08588 1/20 0.64
CYP3A4 P08684 1/20 0.64
HTR1A P08908 1/20 0.64
CYP2D6 P10635 1/20 0.64
ADRB3 P13945 1/20 0.64
NFKB1 P19838 1/20 0.64
DRD1 P21728 1/20 0.64
SIGMAR1 Q99720 1/20 0.64
ALDH1A1 P00352 5/20 0.57
MAPK1 P28482 3/20 0.57
ALOX15 P16050 2/20 0.57
HSD17B10 Q99714 2/20 0.57
TSHR P16473 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.55
BLM P54132 1/20 0.55
HTT P42858 3/20 0.54
HPGD P15428 2/20 0.54

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
SCHEMBL20243643 0.86 CYP1A2 (0.48) TDP1CYP1A2ADRB2ADRB1CYP3A4
SCHEMBL19872020 0.82 ALDH1A1 (0.56) TDP1CYP1A2ADRB2ADRB1CYP3A4
SCHEMBL21505038 0.80 ALDH1A1 (0.51) TDP1CYP1A2ADRB2ADRB1CYP3A4
SCHEMBL7593903 0.80 TDP1 (0.62) TDP1CYP1A2ADRB2ADRB1CYP3A4
SCHEMBL21814399 0.79 ALDH1A1 (0.51) TDP1CYP1A2ADRB2ADRB1CYP3A4
SCHEMBL21505040 0.79 TDP1 (0.46) TDP1CYP1A2ADRB2ADRB1CYP3A4
SCHEMBL23789618 0.79 ALDH1A1 (0.52) TDP1CYP1A2ADRB2ADRB1CYP3A4
SCHEMBL22486487 0.79 TDP1 (0.78) TDP1CYP1A2ADRB2ADRB1CYP3A4
SCHEMBL18074878 0.78 CYP1A2 (0.63) TDP1CYP1A2ADRB2ADRB1CYP3A4
Timolol SCHEMBL4912 0.78 CYP1A2 (1.00) TDP1CYP1A2ADRB2ADRB1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250179130-A1 METHODS AND SYSTEMS FOR DESIGNING AND/OR CHARACTERIZING SOLUBLE LIPIDATED LIGAND AGENTS ON TARGET THERAPEUTICS LLC 2025-06-05 US disclosed
US-12060397-B2 Soluble lipidated ligand agents for treating eye inflammation TUFTS MEDICAL CENTER (US) 2024-08-13 US disclosed
EP-2964224-B1 POLYMER CONJUGATE FOR DELIVERY OF A BIOACTIVE AGENT POLYACTIVA PTY LTD (AU) 2024-07-03 EP disclosed
US-11787906-B2 Biodegradable drug-polymer conjugate POLYACTIVA PTY LTD (AU) 2023-10-17 US disclosed
US-20230058971-A1 EXTENDED RELEASE MICROPARTICLES AND SUSPENSIONS THEREOF FOR MEDICAL THERAPY Graybug Vision, Inc. (US) 2023-02-23 US disclosed
US-11548861-B2 Drugs and compositions for the treatment of ocular disorders Graybug Vision, Inc. (US) 2023-01-10 US disclosed
US-20220135633-A1 METHODS AND SYSTEMS FOR DESIGNING AND/OR CHARACTERIZING SOLUBLE LIPIDATED LIGAND AGENTS ON TARGET THERAPEUTICS LLC 2022-05-05 US disclosed
US-20210405280-A1 COMBINATION OF BRIMONIDINE AND TIMOLOL FOR TOPICAL OPHTHALMIC USE ALLERGAN SALES LLC (US) 2021-12-30 US disclosed
WO-2021237096-A1 DURABLE IMPLANTS AND MICROPARTICLES FOR LONG-TERM OCULAR THERAPY Graybug Vision, Inc. (US) 2021-11-25 WO disclosed
US-11160870-B2 Extended release microparticles and suspensions thereof for medical therapy Graybug Vision, Inc. (US) 2021-11-02 US disclosed
US-20200129520-A1 COMBINATION OF BRIMONIDINE AND TIMOLOL FOR TOPICAL OPHTHALMIC USE ALLERGAN SALES LLC (US) 2020-04-30 US disclosed
US-20200123322-A1 BIODEGRADABLE DRUG-POLYMER CONJUGATE POLYACTIVA PTY LTD (AU) 2020-04-23 US disclosed
US-20200031783-A1 DRUGS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS Graybug Vision, Inc. (US) 2020-01-30 US disclosed
WO-2019185543-A1 PHARMACEUTICAL COMPOSITION COMPRISING TIMOLOL NOVALIQ GMBH (DE) 2019-10-03 WO disclosed
US-20180064720-A1 COMBINATION OF BRIMONIDINE AND TIMOLOL FOR TOPICAL OPHTHALMIC USE ALLERGAN SALES LLC (US) 2018-03-08 US disclosed
US-20180064721-A1 COMBINATION OF BRIMONIDINE AND TIMOLOL FOR TOPICAL OPHTHALMIC USE ALLERGAN SALES LLC (US) 2018-03-08 US disclosed
US-9907801-B1 Combination of brimonidine and timolol for topical ophthalmic use ALLERGAN SALES, LLC (US) 2018-03-06 US disclosed
US-9907802-B1 Combination of brimonidine and timolol for topical ophthalmic use ALLERGAN SALES, LLC (US) 2018-03-06 US disclosed
US-9770453-B2 Combination of brimonidine and timolol for topical ophthalmic use ALLERGAN SALES, LLC (US) 2017-09-26 US disclosed
US-20170157138-A1 COMBINATION OF BRIMONIDINE AND TIMOLOL FOR TOPICAL OPHTHALMIC USE ALLERGAN SALES LLC (US) 2017-06-08 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 (13 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-20180064720-A1 COMBINATION OF BRIMONIDINE AND TIMOLOL FOR TOPICAL OPHTHALMIC USE ADRB2, ADRA2B, PDE3B TDP1 1779/4885CYP1A2 369/4885ADRB2 1/4885
US-20220135633-A1 METHODS AND SYSTEMS FOR DESIGNING AND/OR CHARACTERIZING SOLUBLE LIPIDATED LIGAND AGENTS LDLR, HDLBP, LIPG TDP1 4630/4885CYP1A2 3413/4885ADRB2 2941/4885
US-20200123322-A1 BIODEGRADABLE DRUG-POLYMER CONJUGATE ADRB3, PTGER3, CHRNE TDP1 3114/4885CYP1A2 101/4885ADRB2 13/4885
US-20200031783-A1 DRUGS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS PDE6C, PDE6A, PDE6D TDP1 564/4885CYP1A2 2699/4885ADRB2 669/4885
US-11548861-B2 Drugs and compositions for the treatment of ocular disorders PDE6C, PDE6A, PDE6D TDP1 564/4885CYP1A2 2699/4885ADRB2 669/4885
US-20170157138-A1 COMBINATION OF BRIMONIDINE AND TIMOLOL FOR TOPICAL OPHTHALMIC USE ADRB2, ADRA2B, PDE3B TDP1 1779/4885CYP1A2 369/4885ADRB2 1/4885
US-11160870-B2 Extended release microparticles and suspensions thereof for medical therapy CHMP4B, EXOSC9, EXOSC5 TDP1 1048/4885CYP1A2 2730/4885ADRB2 1066/4885
US-20230058971-A1 EXTENDED RELEASE MICROPARTICLES AND SUSPENSIONS THEREOF FOR MEDICAL THERAPY CHMP4B, EXOSC9, EXOSC5 TDP1 1048/4885CYP1A2 2730/4885ADRB2 1066/4885
US-20200129520-A1 COMBINATION OF BRIMONIDINE AND TIMOLOL FOR TOPICAL OPHTHALMIC USE ADRB2, ADRA2B, PDE3B TDP1 1779/4885CYP1A2 369/4885ADRB2 1/4885
US-11787906-B2 Biodegradable drug-polymer conjugate ADRB3, PTGER3, CHRM3 TDP1 2961/4885CYP1A2 94/4885ADRB2 16/4885
US-20250179130-A1 METHODS AND SYSTEMS FOR DESIGNING AND/OR CHARACTERIZING SOLUBLE LIPIDATED LIGAND AGENTS LDLR, HDLBP, LIPG TDP1 4630/4885CYP1A2 3413/4885ADRB2 2941/4885
US-20180064721-A1 COMBINATION OF BRIMONIDINE AND TIMOLOL FOR TOPICAL OPHTHALMIC USE ADRB2, ADRA2B, PDE3B TDP1 1779/4885CYP1A2 369/4885ADRB2 1/4885
US-12060397-B2 Soluble lipidated ligand agents for treating eye inflammation LIPG, CD40, LDLR TDP1 4864/4885CYP1A2 2879/4885ADRB2 1967/4885

“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.