SCHEMBL23917024

SCHEMBL23917024

CC(C)(C)OCC(=O)N1CCC(CC(C)(C)OCCN2CCCC2=O)C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 6/20 0.37
MEN1 O00255 3/20 0.37
POLB P06746 1/20 0.33
GFER P55789 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL12882980 0.73 PIK3CD (0.46) ALDH1A1TSHRKMT2AMEN1POLB
SCHEMBL23916746 0.72 KCNH2 (0.40) ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL8892804 0.69 KDM4E (0.55) ALDH1A1SMN1; SMN2KDM4EGAATSHR
SCHEMBL18859442 0.69 KMT2A (0.41) SMN1; SMN2TSHRKMT2AMEN1POLB
SCHEMBL26138812 0.68 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL26130347 0.68 FPR2 (0.45) ALDH1A1SMN1; SMN2KDM4EGAATSHR
SCHEMBL14031986 0.66 KMT2A (0.41) SMN1; SMN2TSHRKMT2AMEN1POLB
SCHEMBL22332263 0.65 ALDH1A1 (0.43) ALDH1A1TSHRKMT2AMEN1RAB9A
SCHEMBL189570 0.65 FPR2 (0.51) ALDH1A1SMN1; SMN2KDM4EGAATSHR
SCHEMBL24449428 0.64 RBP4 (0.41) ALDH1A1KDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210380595-A1 2-(2-ACRYLOYL-2,6-DIAZASPIRO[3.4]OCTAN-6-YL)-6-(1H-INDAZOL-4-YL)-BENZONITRILE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF G12C MUTANT KRAS PROTEIN FOR INHIBITING TUMOR METASTASIS ARAXES PHARMA LLC (US) 2021-12-09 US disclosed
US-20210317127-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2021-10-14 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 (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-20210380595-A1 2-(2-ACRYLOYL-2,6-DIAZASPIRO[3.4]OCTAN-6-YL)-6-(1H-INDAZOL-4-YL)-BENZONITRILE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF G12C MUTANT KRAS PROTEIN FOR INHIBITING TUMOR METASTASIS KRAS, NRAS, G3BP2 ALDH1A1 1492/4885SMN1; SMN2 1976/4885KDM4E 1473/4885
US-20210317127-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER KRAS, NRAS, HRAS ALDH1A1 1405/4885SMN1; SMN2 1627/4885KDM4E 4200/4885

“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.