SCHEMBL2865602

SCHEMBL2865602

NC(Cc1cccc2ccccc12)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.50
SLC6A4 P31645 1/20 0.50
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
TACR1 P25103 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CYP2D6 P10635 1/20 0.43
MMP9 P14780 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
SCHEMBL31616423 1.00 CTNNB1 (0.50) CTNNB1SLC6A4TDP1CYP1A2CYP2C19
SCHEMBL10729965 0.82 CTNNB1 (0.54) CTNNB1SLC6A4TDP1CYP1A2CYP2C19
SCHEMBL8329891 0.82 MTNR1A (0.44) CTNNB1SLC6A4TDP1CYP1A2CYP2C19
SCHEMBL18912285 0.81 CYP1A2 (0.47) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL3681421 0.80 CYP1A2 (0.52) CTNNB1SLC6A4TDP1CYP1A2CYP2C19
SCHEMBL9518025 0.80 SIGMAR1 (0.46) SLC6A4TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL29190507 0.78 CTNNB1 (0.50) CTNNB1SLC6A4TDP1CYP1A2CYP2C19
SCHEMBL3003489 0.78 SIGMAR1 (0.50) CTNNB1SLC6A4TDP1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL9734418 0.77 SLC6A4 (0.47) CTNNB1SLC6A4TDP1CYP1A2CYP2C19
SCHEMBL28072412 0.77 SLC1A3 (0.48) SLC6A4TDP1CYP1A2CYP2C19CYP2C9

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109336887-B Benzimidazole chiral heterocyclic compound and preparation method and application thereof 中山大学 2021-12-17 CN claimed
US-12083140-B2 Pharmaceutical composition for preventing and treating glaucoma, containing adenosine derivative FUTURE MEDICINE CO., LTD. (KR) 2024-09-10 US disclosed
EP-3603647-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING GLAUCOMA, CONTAINING ADENOSINE DERIVATIVE FUTURE MEDICINE CO LTD (KR) 2024-08-21 EP disclosed
CN-109336887-B Benzimidazole chiral heterocyclic compound and preparation method and application thereof 中山大学 2021-12-17 CN disclosed
US-20210386771-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING GLAUCOMA, CONTAINING ADENOSINE DERIVATIVE FUTURE MEDICINE CO., LTD. (KR) 2021-12-16 US disclosed
US-11185556-B2 Pharmaceutical composition for preventing and treating glaucoma, containing adenosine derivative FUTURE MEDICINE CO., LTD. (KR) 2021-11-30 US disclosed
CN-113616659-A Pharmaceutical composition containing adenosine derivative 未来制药有限公司 2021-11-09 CN disclosed
CN-109906083-B Pharmaceutical composition containing adenosine derivative 未来制药有限公司 2021-09-17 CN disclosed
EP-3603647-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING GLAUCOMA, CONTAINING ADENOSINE DERIVATIVE Future Medicine Co., Ltd. (KR) 2020-02-05 EP disclosed
EP-2142549-B1 ADENOSINE DERIVATIVES, METHOD FOR THE SYNTHESIS THEREOF, AND THE PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF THE INFLAMMATORY DISEASES CONTAINING THE SAME AS AN ACTIVE INGREDIENT FM THERAPEUTICS CO LTD (KR) 2013-07-10 EP disclosed
US-20100137577-A1 ADENOSINE DERIVATIVES, METHOD FOR THE SYNTHESIS THEREOF, AND THE PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF THE INFLAMMATORY DISEASES CONTAINING THE SAME AS AN ACTIVE INGREDIENT FUTURE MEDICINE CO., LTD. (KR) 2010-06-03 US disclosed
EP-2142549-A1 ADENOSINE DERIVATIVES, METHOD FOR THE SYNTHESIS THEREOF, AND THE PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF THE INFLAMMATORY DISEASES CONTAINING THE SAME AS AN ACTIVE INGREDIENT FM Therapeutics Co., Ltd. (KR) 2010-01-13 EP disclosed
WO-2008108508-A1 ADENOSINE DERIVATIVES, METHOD FOR THE SYNTHESIS THEREOF, AND THE PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF THE INFLAMMATORY DISEASES CONTAINING THE SAME AS AN ACTIVE INGREDIENT FM THERAPEUTICS CO., LTD. (KR) 2008-09-12 WO 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-11185556-B2 Pharmaceutical composition for preventing and treating glaucoma, containing adenosine derivative ADORA1, ADORA2A, PDE3A CTNNB1 1276/4885SLC6A4 879/4885TDP1 350/4885
US-12083140-B2 Pharmaceutical composition for preventing and treating glaucoma, containing adenosine derivative ADORA1, ADORA2A, ADORA3 CTNNB1 1078/4885SLC6A4 889/4885TDP1 379/4885
US-20210386771-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING GLAUCOMA, CONTAINING ADENOSINE DERIVATIVE ADORA1, ADORA2A, ADORA3 CTNNB1 1078/4885SLC6A4 889/4885TDP1 379/4885
US-20100137577-A1 ADENOSINE DERIVATIVES, METHOD FOR THE SYNTHESIS THEREOF, AND THE PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF THE INFLAMMATORY DISEASES CONTAINING THE SAME AS AN ACTIVE INGREDIENT ADORA3, ADORA2A, ADORA1 CTNNB1 2942/4885SLC6A4 2555/4885TDP1 2200/4885

“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.