SCHEMBL24701188

SCHEMBL24701188

CC(C)(C)NC(=O)CCC(=O)N1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ TSHR P16473 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ GLA P06280 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ FKBP1A P62942 1/20 0.43
▸ HTT P42858 1/20 0.42

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
SCHEMBL20462651 0.81 TSHR (0.56) SMN1; SMN2TSHRPOLBGLALMNA
SCHEMBL19975948 0.80 ALDH1A1 (0.48) SMN1; SMN2LMNAALDH1A1
SCHEMBL28287659 0.78 SMN1; SMN2 (0.50) SMN1; SMN2TSHRPOLBGLALMNA
SCHEMBL17773338 0.78 SMN1; SMN2 (1.00) SMN1; SMN2TSHRPOLBGLALMNA
SCHEMBL19703868 0.78 ALDH1A1 (0.42) SMN1; SMN2LMNAALDH1A1
SCHEMBL20780403 0.77 POLB (0.56) SMN1; SMN2TSHRPOLBGLALMNA
SCHEMBL8229950 0.77 PKM (0.57) SMN1; SMN2TSHRPOLBGLALMNA
SCHEMBL179553 0.75 POLB (0.53) SMN1; SMN2TSHRPOLBGLALMNA
SCHEMBL19975981 0.75 ALDH1A1 (0.43) SMN1; SMN2POLBLMNAALDH1A1NPSR1
SCHEMBL823974 0.74 HTT (0.55) SMN1; SMN2LMNAALDH1A1HTT

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-20220280509-A1 AZA-QUINOLINE COMPOUNDS AND USES THEREOF NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2022-09-08 — — 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-20220280509-A1 AZA-QUINOLINE COMPOUNDS AND USES THEREOF EZH2, BMI1, EED SMN1; SMN2 1780/4885TSHR 4018/4885POLB 1459/4885

“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.

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