SCHEMBL25875082

SCHEMBL25875082

CC(=O)C(CCC(=O)N(C)C)N(C)C

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 5/20 0.48
▸ CHRNA4 P43681 5/20 0.48
▸ CHRNB4 P30926 4/20 0.48
▸ ALDH1A1 P00352 1/20 0.41
▸ CHRNA3 P32297 2/20 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
SCHEMBL28517707 0.83 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4ALDH1A1CHRNA3
SCHEMBL19546492 0.82 ALDH1A1 (0.41) CHRNB2CHRNA4CHRNB4ALDH1A1CHRNA3
SCHEMBL14319857 0.80 GABRP (0.43) —
SCHEMBL20099695 0.78 ALOX15 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL26426337 0.78 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4ALDH1A1
SCHEMBL26373651 0.76 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4ALDH1A1CHRNA3
SCHEMBL20099675 0.75 CHRNB2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL16923584 0.75 TSHR (0.46) CHRNB2CHRNA4CHRNB4ALDH1A1CHRNA3
SCHEMBL23974055 0.75 CHRNB2 (0.33) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL19230440 0.75 TDP1 (0.44) CHRNB2CHRNA4CHRNB4ALDH1A1CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230210851-A1 SPIRO-LACTAM COMPOUNDS AND METHODS OF TREATING VIRAL INFECTIONS USING THE SAME APTINYX INC (US) 2023-07-06 — — 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 (1 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-20230210851-A1 SPIRO-LACTAM COMPOUNDS AND METHODS OF TREATING VIRAL INFECTIONS USING THE SAME ACE, ACE2, PREP CHRNB2 4866/4885CHRNA4 4835/4885CHRNB4 4845/4885

“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.

Send feedback