SCHEMBL18975880

SCHEMBL18975880

N#CC=C1CN(C(=O)c2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
SIGMAR1 Q99720 1/20 0.45
ACHE P22303 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
BLM P54132 1/20 0.41
GRM5 P41594 3/20 0.41
MAOB P27338 1/20 0.41
TSHR P16473 1/20 0.41
NAMPT P43490 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL20004202 0.76 LMNA (0.39) ALDH1A1CHRNB2CHRNA7CHRNA4TSHR
SCHEMBL11605873 0.72 HPGD (0.59) HPGDSIGMAR1ACHEUSP2ALDH1A1
SCHEMBL4167985 0.72 NAMPT (0.64) HPGDSIGMAR1ACHEALDH1A1NAMPT
SCHEMBL29367465 0.71 NAMPT (0.62) HPGDSIGMAR1ACHEUSP2ALDH1A1
SCHEMBL9618617 0.69 HPGD (0.65) HPGDSIGMAR1ACHEUSP2ALDH1A1
SCHEMBL7129676 0.69 HPGD (0.79) HPGDSIGMAR1ACHEUSP2ALDH1A1
SCHEMBL252026 0.69 HPGD (0.79) HPGDSIGMAR1ACHEUSP2ALDH1A1
SCHEMBL22111679 0.69 HPGD (0.55) HPGDSIGMAR1ACHEUSP2ALDH1A1
SCHEMBL10997891 0.68 PKM (0.69) HPGDSIGMAR1ACHEUSP2ALDH1A1
Hydrochloric Acid SCHEMBL1597472 0.68 HPGD (0.76) HPGDSIGMAR1ACHEUSP2ALDH1A1

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-113149993-A Pyrrolopyrimidine derivative compound, pharmaceutical composition and application thereof 北京普祺医药科技有限公司 2021-07-23 CN disclosed
US-11045455-B2 Azetidine derivative, preparation method therefor, and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-06-29 US disclosed
US-11045455-B2 Azetidine derivative, preparation method therefor, and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-06-29 US disclosed
EP-3360878-B9 AZETIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF SICHUAN KELUN BIOTECH BIOPHARMACEUTICAL CO LTD (CN) 2021-05-05 EP disclosed
EP-3360878-B9 AZETIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF SICHUAN KELUN BIOTECH BIOPHARMACEUTICAL CO LTD (CN) 2021-05-05 EP disclosed
CN-109867675-B Pyrrolopyrimidine derivative compound, pharmaceutical composition and application thereof 北京普祺医药科技有限公司 2021-01-19 CN disclosed
EP-3360878-B1 AZETIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO LTD (CN) 2020-09-16 EP disclosed
EP-3360878-B1 AZETIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO LTD (CN) 2020-09-16 EP disclosed
US-20200147062-A1 AZETIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-05-14 US disclosed
US-20200147062-A1 AZETIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-05-14 US disclosed
US-10159662-B2 Azetidine derivative, preparation method therefor, and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2018-12-25 US disclosed
US-20180289680-A1 AZETIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2018-10-11 US disclosed
WO-2017097224-A1 AZETIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2017-06-15 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-11045455-B2 Azetidine derivative, preparation method therefor, and use thereof JAK1, JAK2, JAK3 HPGD 1816/4885SIGMAR1 2829/4885ACHE 4080/4885
US-20200147062-A1 AZETIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF JAK1, JAK2, JAK3 HPGD 1816/4885SIGMAR1 2829/4885ACHE 4080/4885
US-10159662-B2 Azetidine derivative, preparation method therefor, and use thereof JAK1, JAK2, JAK3 HPGD 1816/4885SIGMAR1 2829/4885ACHE 4080/4885
US-20180289680-A1 AZETIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF JAK1, JAK2, JAK3 HPGD 1816/4885SIGMAR1 2829/4885ACHE 4080/4885

“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.