SCHEMBL22210697

SCHEMBL22210697

CCn1nnc2c1-c1ccccc1CN(C(C)C)c1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.35
TOP2A P11388 1/20 0.34
TDO2 P48775 10/20 0.33
IDO1 P14902 8/20 0.33
GRM5 P41594 1/20 0.32
GRM1 Q13255 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAP3K5 Q99683 1/20 0.30
GRM2 Q14416 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
SCHEMBL22643744 0.95 SLC9A1 (0.35) SLC9A1TOP2ATDO2IDO1GRM5
SCHEMBL20693319 0.91 SLC9A1 (0.34) SLC9A1TOP2ATDO2IDO1MEN1
SCHEMBL20822255 0.91 SLC9A1 (0.38) SLC9A1TOP2ATDO2IDO1GRM5
SCHEMBL24974789 0.91 SLC9A1 (0.34) SLC9A1TOP2ATDO2IDO1MEN1
SCHEMBL19170430 0.86 GRM5 (0.34) SLC9A1TOP2ATDO2IDO1GRM5
SCHEMBL27269724 0.86 SLC9A1 (0.38) SLC9A1TOP2ATDO2IDO1GRM5
SCHEMBL17992585 0.85 MAP3K5 (0.37) TOP2AGRM5GRM1MEN1ALDH1A1
SCHEMBL23799155 0.84 TDO2 (0.33) TDO2IDO1GRM5GRM1ALDH1A1
SCHEMBL21618442 0.84 TOP2A (0.39) TOP2ATDO2IDO1GRM5GRM1
SCHEMBL21152799 0.84 MAP3K5 (0.34) GRM5GRM1MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240066133-A1 THERAPEUTIC AGENTS AND CONJUGATES THEREOF AJ SCIENCES (YIXING) CO., LTD (CN) 2024-02-29 US disclosed
US-11760775-B2 Steroids and protein-conjugates thereof REGENERON PHARMACEUTICALS, INC. 2023-09-19 US disclosed
US-11572370-B2 CD16A binding agents and uses thereof BIOHAVEN THERAPEUTICS LTD. (US) 2023-02-07 US disclosed
US-20220401561-A1 PROTEIN-MACROMOLECULE CONJUGATES AND METHODS OF USE THEREOF AJ SCIENCES (YIXING) CO., LTD (CN) 2022-12-22 US disclosed
US-20220175946-A1 CONDITIONING METHODS FOR GENE THERAPY REGENERON PHARMACEUTICALS, INC. 2022-06-09 US disclosed
US-20210332080-A1 HYDROPHILIC LINKERS FOR ANTIBODY DRUG CONJUGATES REGENERON PHARMACEUTICALS, INC. 2021-10-28 US disclosed
US-20210040144-A1 STEROIDS AND PROTEIN-CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. 2021-02-11 US disclosed
US-20200353076-A1 ANTI-FOLATE RECEPTOR ALPHA ANTIBODY CONJUGATES AND THEIR USES SUTRO BIOPHARMA, INC. 2020-11-12 US disclosed
US-20200255523-A1 FC SILENCED ANTIBODY DRUG CONJUGATES (ADCS) AND USES THEREOF REGENERON PHARMACEUTICALS, INC. 2020-08-13 US disclosed
US-10711032-B2 Steroids and protein-conjugates thereof REGENERON PHARMACEUTICALS, INC. (US) 2020-07-14 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 (10 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-20210332080-A1 HYDROPHILIC LINKERS FOR ANTIBODY DRUG CONJUGATES CD44, CD47, EPCAM SLC9A1 1849/4885TOP2A 594/4885TDO2 3477/4885
US-20200353076-A1 ANTI-FOLATE RECEPTOR ALPHA ANTIBODY CONJUGATES AND THEIR USES FOLR2, FOLR1, FCGRT SLC9A1 1103/4885TOP2A 1159/4885TDO2 2188/4885
US-20200255523-A1 FC SILENCED ANTIBODY DRUG CONJUGATES (ADCS) AND USES THEREOF FCGR1A, FCGR2A, FCGR3B SLC9A1 1511/4885TOP2A 4481/4885TDO2 2784/4885
US-10711032-B2 Steroids and protein-conjugates thereof SERPINA6, NR3C1, NR3C2 SLC9A1 4610/4885TOP2A 1915/4885TDO2 4638/4885
US-20220175946-A1 CONDITIONING METHODS FOR GENE THERAPY CD74, CD2, CD44 SLC9A1 399/4885TOP2A 2367/4885TDO2 3308/4885
US-20220401561-A1 PROTEIN-MACROMOLECULE CONJUGATES AND METHODS OF USE THEREOF CD44, SSB, DNPEP SLC9A1 4649/4885TOP2A 773/4885TDO2 4218/4885
US-11572370-B2 CD16A binding agents and uses thereof FCGR1A, FCGR2A, FCGR3B SLC9A1 3180/4885TOP2A 3396/4885TDO2 4732/4885
US-20210040144-A1 STEROIDS AND PROTEIN-CONJUGATES THEREOF SERPINA6, NR3C1, NR3C2 SLC9A1 4609/4885TOP2A 1745/4885TDO2 4647/4885
US-20240066133-A1 THERAPEUTIC AGENTS AND CONJUGATES THEREOF TLR9, STING1, TLR3 SLC9A1 2140/4885TOP2A 41/4885TDO2 1800/4885
US-11760775-B2 Steroids and protein-conjugates thereof SERPINA6, NR3C1, NR3C2 SLC9A1 4609/4885TOP2A 1745/4885TDO2 4647/4885

“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.