SCHEMBL4860930

SCHEMBL4860930

Nc1nccnc1CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 3/20 0.44
GABRB2 P47870 3/20 0.44
GABRP O00591 2/20 0.44
GABRD O14764 2/20 0.44
GABRA1 P14867 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRA4 P48169 2/20 0.44
GABRE P78334 2/20 0.44
GABRA6 Q16445 2/20 0.44
GABRG1 Q8N1C3 2/20 0.44
GABRG3 Q99928 2/20 0.44
GABRQ Q9UN88 2/20 0.44
GABRR1 P24046 1/20 0.41
NAPRT Q6XQN6 2/20 0.39
MAPKAPK2 P49137 1/20 0.39
CYP1A2 P05177 2/20 0.39

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
SCHEMBL29200838 0.83 MAPKAPK2 (0.36) GABRA5GABRB2GABRPGABRDGABRA1
SCHEMBL28133648 0.81 MAPKAPK2 (0.35) GABRA5GABRB2GABRPGABRDGABRA1
SCHEMBL6709123 0.77 CYP1A2 (0.43) GABRA5GABRB2GABRPGABRDGABRA1
SCHEMBL28007568 0.76 GABRR1 (0.42) GABRA5GABRB2GABRPGABRDGABRA1
SCHEMBL27887048 0.74 GABRR1 (0.50) GABRA5GABRB2GABRPGABRDGABRA1
SCHEMBL4520765 0.74 GABRR1 (0.41) GABRA5GABRB2GABRPGABRDGABRA1
SCHEMBL27598251 0.74 GABRR1 (0.41) GABRA5GABRB2GABRPGABRDGABRA1
SCHEMBL6932734 0.74 KDM4E (0.49) GABRA5GABRB2GABRPGABRDGABRA1
SCHEMBL7125421 0.72 GABRA5 (0.47) GABRA5GABRB2GABRPGABRDGABRA1
SCHEMBL27517892 0.72 ATR (0.43) GABRA5GABRB2GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117343556-A Bio-based compound modified cracking carbon black and application thereof in tire preparation 中策橡胶集团股份有限公司 2024-01-05 CN claimed
CN-117247639-A Tire inner liner rubber composition containing bio-based modified cracking carbon black, mixing method and tire 中策橡胶集团股份有限公司 2023-12-19 CN claimed
CN-117247608-A Tire pad rubber composition containing bio-based modified cracking carbon black, mixing method and tire 中策橡胶集团股份有限公司 2023-12-19 CN claimed
CN-116426219-A Chemical mechanical polishing solution and application thereof 安集微电子科技(上海)股份有限公司 2023-07-14 CN claimed
CN-114686112-A Chemical mechanical polishing solution and use method thereof 安集微电子科技(上海)股份有限公司 2022-07-01 CN claimed
CN-118076632-A Conditionally active proteins for neurodegenerative diseases 生物蛋白有限公司 2024-05-24 CN disclosed
CN-117343556-A Bio-based compound modified cracking carbon black and application thereof in tire preparation 中策橡胶集团股份有限公司 2024-01-05 CN disclosed
CN-117247639-A Tire inner liner rubber composition containing bio-based modified cracking carbon black, mixing method and tire 中策橡胶集团股份有限公司 2023-12-19 CN disclosed
CN-117247608-A Tire pad rubber composition containing bio-based modified cracking carbon black, mixing method and tire 中策橡胶集团股份有限公司 2023-12-19 CN disclosed
CN-116426219-A Chemical mechanical polishing solution and application thereof 安集微电子科技(上海)股份有限公司 2023-07-14 CN disclosed
CN-116143826-A Novel boron liposome helpful for diagnosis and treatment 北京大学 2023-05-23 CN disclosed
CN-112513081-A Multispecific antibody constructs 生物蛋白有限公司 2021-03-16 CN disclosed
CN-105579447-A Ethynyl derivatives HOFFMANN LA ROCHE 2016-05-11 CN disclosed
CN-105385282-A Environment-friendly fixation paint TIANJIN SHENGTONG TECH CO LTD 2016-03-09 CN disclosed
CN-102264721-B Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INC. (US) 2015-12-09 CN disclosed
CN-104936953-A Compound (I) ASTRAZENECA AB 2015-09-23 CN disclosed
CN-104557940-A BCR-ABL kinase inhibitor and application thereof NANJING SANHOME PHARMACEUTICAL CO LTD 2015-04-29 CN disclosed
CN-104387331-A Preparation method of pyrazine derivative Hunan huateng pharmaceutical co ltd 2015-03-04 CN disclosed
US-7456192-B2 3β-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof PIERRE FABRE MEDICAMENT (FR) 2008-11-25 US disclosed
US-20050080085-A1 Novel 3beta-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof PIERRE FABRE MEDICAMENT (FR) 2005-04-14 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 (1 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-20050080085-A1 Novel 3beta-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof AOC3, MAOB, AOC1 GABRA5 493/4885GABRB2 134/4885GABRP 616/4885

“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.