SCHEMBL21293006

SCHEMBL21293006

O=CN[C@H]1CC[C@@H](NOCc2ccccc2)CN1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.34
GLA P06280 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH7 P40394 1/20 0.31
MAOB P27338 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL17232240 1.00 ALDH1A1 (0.35) ALDH1A1GAATSHRGLABCHE
SCHEMBL21362361 0.82 ALDH1A1 (0.36) ALDH1A1GAATSHRBCHEACHE
SCHEMBL20936684 0.77 ALDH1A1 (0.40) ALDH1A1GAATSHRGLANPC1
SCHEMBL19872340 0.77 TSHR (0.36) ALDH1A1GAATSHRMAOB
SCHEMBL15865519 0.77 TSHR (0.36) ALDH1A1GAATSHRMAOB
SCHEMBL21362364 0.76 BCHE (0.38) ALDH1A1GAATSHRBCHE
SCHEMBL1250455 0.76 ALDH1A1 (0.45) ALDH1A1GAATSHRNPC1RAB9A
SCHEMBL19856419 0.76 ALDH1A1 (0.45) ALDH1A1GAATSHRNPC1RAB9A
SCHEMBL19856434 0.76 ALDH1A1 (0.45) ALDH1A1GAATSHRNPC1RAB9A
SCHEMBL1666704 0.76 ALDH1A1 (0.45) ALDH1A1GAATSHRNPC1RAB9A

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-113984929-A Abamebactam sodium substance analysis method 哈药集团技术中心 2022-01-28 CN claimed
CN-108239089-B Method for synthesizing avibactam sodium 浙江医药股份有限公司新昌制药厂 2020-05-22 CN claimed
CN-114989169-A Preparation method of avibactam sodium 哈药集团技术中心 2022-09-02 CN disclosed
CN-113984929-A Abamebactam sodium substance analysis method 哈药集团技术中心 2022-01-28 CN disclosed
CN-109678856-B Preparation method of avibactam intermediate 新发药业有限公司 2020-09-25 CN disclosed
CN-109956941-B Simple preparation method of abamectin 新发药业有限公司 2020-08-04 CN disclosed
CN-109678855-B Preparation method of avibactam intermediate 新发药业有限公司 2020-07-17 CN disclosed
CN-108239089-B Method for synthesizing avibactam sodium 浙江医药股份有限公司新昌制药厂 2020-05-22 CN disclosed
CN-107417686-B Method for synthesizing avibactam sodium 北京化工大学 2020-04-28 CN disclosed
CN-107417686-B Method for synthesizing avibactam sodium 北京化工大学 2020-04-28 CN disclosed
US-10570132-B2 Process for preparing an intermediate for avibactam XINFA PHARMACEUTICAL CO., LTD (CN) 2020-02-25 US disclosed
EP-3543236-A1 METHOD FOR PREPARING AVIBACTAM INTERMEDIATE Xinfa Pharmaceutical Co., Ltd (CN) 2019-09-25 EP disclosed
US-20190263812-A1 PROCESS FOR PREPARING AN INTERMEDIATE FOR AVIBACTAM XINFA PHARMACEUTICAL CO., LTD (CN) 2019-08-29 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 (2 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-10570132-B2 Process for preparing an intermediate for avibactam ODC1, UROD, STS ALDH1A1 2869/4885GAA 1408/4885TSHR 2379/4885
US-20190263812-A1 PROCESS FOR PREPARING AN INTERMEDIATE FOR AVIBACTAM ODC1, UROD, STS ALDH1A1 2869/4885GAA 1408/4885TSHR 2379/4885

“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.