SCHEMBL22402387

SCHEMBL22402387

CC(C)N1CCCOc2ccc(C(C)(C)C)cc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.35
STING1 Q86WV6 1/20 0.34
TRPV1 Q8NER1 4/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
CHRNA7 P36544 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
SCHEMBL2061452 0.79 MAPT (0.39) POLBALDH1A1KDM4EMEN1KMT2A
SCHEMBL22693083 0.77 POLB (0.44) POLBALDH1A1L3MBTL1HRH3KDM4E
SCHEMBL22402389 0.77 POLB (0.33) POLBALDH1A1STING1KDM4EMEN1
SCHEMBL21455717 0.75 NOTUM (0.45) POLBKMT2ANPC1
SCHEMBL762353 0.75 ALDH1A1 (0.45) POLBALDH1A1L3MBTL1HRH3KMT2A
SCHEMBL13151212 0.74 ALDH1A1 (0.44) POLBALDH1A1L3MBTL1TRPV1HRH3
SCHEMBL2061608 0.74 CHRNB4 (0.40) ALDH1A1MEN1KMT2ANPC1MAPT
SCHEMBL24226100 0.73 ALDH1A1 (0.43) POLBALDH1A1L3MBTL1TRPV1HRH3
SCHEMBL24224444 0.72 ALDH1A1 (0.46) POLBALDH1A1L3MBTL1TRPV1KDM4E
SCHEMBL13656198 0.72 TP53 (0.44) POLBALDH1A1TRPV1MEN1KMT2A

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-20220024901-A1 GLP-1R AGONISTS AND USES THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2022-01-27 US disclosed
US-20200283424-A1 GLP-1R AGONISTS AND USES THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2020-09-10 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-20200283424-A1 GLP-1R AGONISTS AND USES THEREOF GLP1R, GPR119, GIPR POLB 4812/4885ALDH1A1 564/4885L3MBTL1 3775/4885
US-20220024901-A1 GLP-1R AGONISTS AND USES THEREOF GLP1R, GPR119, GIPR POLB 4730/4885ALDH1A1 554/4885L3MBTL1 3607/4885

“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.