Sugi Predict

Sugi Predict / Compounds / SCHEMBL22940513

SCHEMBL22940513

SCHEMBL22940513

CN1CCC(CN2CCN(I)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 1/20 0.45
▸ CACNA2D1 P54289 1/20 0.42
▸ CACNA1B Q00975 1/20 0.42
▸ CACNB1 Q02641 1/20 0.42
▸ CACNA1C Q13936 1/20 0.42
▸ CHRM5 P08912 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ ACHE P22303 1/20 0.39
▸ KDM2B Q8NHM5 2/20 0.32
▸ GNAI3 P08754 2/20 0.32
▸ GNAO1 P09471 2/20 0.32
▸ GNAI1 P63096 2/20 0.32
▸ HTR1A P08908 2/20 0.32
▸ SIGMAR1 Q99720 2/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32

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
SCHEMBL25671267 0.93 CHRM5 (0.44) NCF1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL23173639 0.92 NCF1 (0.40) NCF1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL25571706 0.89 NCF1 (0.54) NCF1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL23173902 0.89 NCF1 (0.54) NCF1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL3436997 0.87 NCF1 (0.52) NCF1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL22940345 0.87 CHRM5 (0.46) CHRM5ADRA2CACHESIGMAR1
SCHEMBL24319476 0.85 NCF1 (0.50) NCF1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL29317306 0.84 CACNA2D1 (0.34) NCF1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL18976953 0.84 CHRM5 (0.48) CHRM5ADRA2CACHESIGMAR1KCNH2
SCHEMBL24319917 0.83 NCF1 (0.45) NCF1CACNA2D1CACNA1BCACNB1CACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207267-A1 (R)-Glutarimide CRBN Ligands and Methods of Use BEIGENE SWITZERLAND GMBH (CH) 2024-06-27 — — US disclosed
WO-2023220137-A1 PYRAZINE DERIVATIVES AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2023-11-16 — — WO disclosed
US-20230265116-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2023-08-24 — — US disclosed
WO-2022262782-A1 GLUTARIMIDE-SUBSTITUTED ISOXAZOLE FUSED RING COMPOUND, AND APPLICATION THEREOF 南京明德新药研发有限公司 2022-12-22 — — WO disclosed
WO-2021018018-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INIDBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2021-02-04 — — 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 (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-20230265116-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE EGFR, CBL, ERBB2 NCF1 1421/4885CACNA2D1 4675/4885CACNA1B 4841/4885
US-20240207267-A1 (R)-Glutarimide CRBN Ligands and Methods of Use CRBN, CDR2, CRKL NCF1 1785/4885CACNA2D1 4263/4885CACNA1B 3379/4885

“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.