SCHEMBL18975587

SCHEMBL18975587

CCC(=O)N1CC(=CC#N)C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
CHRNB2 P17787 3/20 0.35
CHRNA3 P32297 3/20 0.35
CHRNA4 P43681 3/20 0.35
CHRNB3 Q05901 1/20 0.35
CHRNA6 Q15825 1/20 0.35
CHRNB4 P30926 2/20 0.34
CHRNA7 P36544 2/20 0.34
BLM P54132 1/20 0.34
DRD3 P35462 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33
GRM5 P41594 1/20 0.33
LMNA P02545 1/20 0.32
OPRM1 P35372 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
SCHEMBL23343604 0.79 GRM5 (0.51) ALDH1A1MEN1TSHRKMT2ACYP1A2
SCHEMBL28535671 0.79 NOTUM (0.41) CYP1A2
SCHEMBL28857109 0.77 CYP1A2 (0.40) CYP1A2OPRM1
SCHEMBL873288 0.76
SCHEMBL21341346 0.71
SCHEMBL31090011 0.70 CSNK1E (0.34)
SCHEMBL23867770 0.70 CYP1A2 (0.33) ALDH1A1MEN1KMT2ACYP1A2GRM5
SCHEMBL18170310 0.69
SCHEMBL28158154 0.67 DRD3 (0.33) DRD3
SCHEMBL18975880 0.67 HPGD (0.47) ALDH1A1CHRNB2CHRNA3CHRNA4CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ALDH1A1 1785/4885CHRNB2 4843/4885CHRNA3 4867/4885
US-20200147062-A1 AZETIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF JAK1, JAK2, JAK3 ALDH1A1 1785/4885CHRNB2 4843/4885CHRNA3 4867/4885
US-10159662-B2 Azetidine derivative, preparation method therefor, and use thereof JAK1, JAK2, JAK3 ALDH1A1 1785/4885CHRNB2 4843/4885CHRNA3 4867/4885
US-20180289680-A1 AZETIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF JAK1, JAK2, JAK3 ALDH1A1 1785/4885CHRNB2 4843/4885CHRNA3 4867/4885

“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.