SCHEMBL23569701

SCHEMBL23569701

C=CC(=O)N1CCN(C(C)C)C[C@@H]1C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 6/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
SLC6A9 P48067 2/20 0.33
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
HRH3 Q9Y5N1 3/20 0.31
CYP2D6 P10635 1/20 0.31
KCNH2 Q12809 1/20 0.31
PRKCB P05771 1/20 0.31
TEAD1 P28347 2/20 0.31
TXK P42681 1/20 0.31
BTK Q06187 1/20 0.31
KRAS P01116 1/20 0.30

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
SCHEMBL20314877 1.00 JAK3 (0.39) JAK3SMN1; SMN2SLC6A9MAPTTSHR
SCHEMBL22185432 1.00 JAK3 (0.39) JAK3SMN1; SMN2SLC6A9MAPTTSHR
SCHEMBL23366022 0.90 JAK3 (0.38) JAK3SMN1; SMN2TSHRHRH3TXK
SCHEMBL23735937 0.84 JAK3 (0.39) JAK3SMN1; SMN2TXKBTK
SCHEMBL24870546 0.81 JAK3 (0.36) JAK3SMN1; SMN2SLC6A9HRH3
SCHEMBL27281065 0.81 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL27280634 0.81 JAK3 (0.33) JAK3HRH3
SCHEMBL23848396 0.81 JAK3 (0.34) JAK3HRH3
SCHEMBL20314977 0.81 CACNA1A (0.36) MAPT
SCHEMBL23569909 0.80 JAK3 (0.42) JAK3TXKBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787811-B2 KRAS mutant protein inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-10-17 US disclosed
US-11787811-B2 KRAS mutant protein inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-10-17 US disclosed
US-11384087-B1 2022-07-12 US disclosed
WO-2022111513-A1 AROMATIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 杭州多域生物技术有限公司 2022-06-02 WO disclosed
US-11161847-B2 KRAS mutant protein inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2021-11-02 US disclosed
US-20210300920-A1 KRAS Mutant Protein Inhibitors JACOBIO PHARMACEUTICALS CO., LTD (CN) 2021-09-30 US disclosed
WO-2021121367-A1 KRAS MUTANT PROTEIN INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2021-06-24 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-20210300920-A1 KRAS Mutant Protein Inhibitors KRAS, NRAS, APC JAK3 2071/4885SMN1; SMN2 3908/4885SLC6A9 4393/4885
US-11161847-B2 KRAS mutant protein inhibitors KRAS, NRAS, APC JAK3 2071/4885SMN1; SMN2 3908/4885SLC6A9 4393/4885
US-11384087-B1 KRAS, NRAS, APC JAK3 2661/4885SMN1; SMN2 3280/4885SLC6A9 4340/4885
US-11787811-B2 KRAS mutant protein inhibitors KRAS, NRAS, APC JAK3 2361/4885SMN1; SMN2 3852/4885SLC6A9 4416/4885

“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.