SCHEMBL21786928

SCHEMBL21786928

CC(C)N1C[C@H]2CNCC[C@H]2C1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.32
CHRNB4 P30926 3/20 0.32
CHRNA3 P32297 3/20 0.32
CHRNA4 P43681 3/20 0.32
HRH3 Q9Y5N1 1/20 0.31
CHRNA7 P36544 1/20 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
SCHEMBL12209130 1.00 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA3CHRNA4HRH3
SCHEMBL17694861 0.89 HRH3 (0.33) HRH3
SCHEMBL19558161 0.88 HTR2C (0.31) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL10360439 0.86 GNAI3 (0.33) HRH3
SCHEMBL10360894 0.86 HRH3 (0.31) HRH3
SCHEMBL12250822 0.84 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL27380454 0.84 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL22827192 0.84 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL14224176 0.84 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL19756453 0.84 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7

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-10981875-B2 Quinolone-based compounds with anticancer activity REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2021-04-20 US disclosed
US-20200071273-A1 QUINOLONE-BASED COMPOUNDS WITH ANTICANCER ACTIVITY UNIVERSITY OF IOWA RESEARCH FOUNDATION 2020-03-05 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-20200071273-A1 QUINOLONE-BASED COMPOUNDS WITH ANTICANCER ACTIVITY TOP2A, TOP2B, TOP1 CHRNB2 4275/4885CHRNB4 4156/4885CHRNA3 4319/4885
US-10981875-B2 Quinolone-based compounds with anticancer activity TOP2A, TOP2B, TOP1 CHRNB2 4275/4885CHRNB4 4156/4885CHRNA3 4319/4885

“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.