SCHEMBL22402389

SCHEMBL22402389

CC(C)N1CCCc2ccc(C(C)(C)CCC(C)N3CCOc4ccc(C(C)(C)C)cc43)cc21

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
STING1 Q86WV6 1/20 0.32
ALDH1A1 P00352 2/20 0.31
RORC P51449 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL22402387 0.77 POLB (0.41) POLBSTING1ALDH1A1KDM4EMEN1
SCHEMBL21140749 0.70 CYP3A4 (0.38) ALDH1A1
SCHEMBL24721757 0.69 NLRP3 (0.40) ALDH1A1
SCHEMBL13656198 0.68 TP53 (0.44) POLBALDH1A1RORCMEN1KMT2A
SCHEMBL12356967 0.67 CNR2 (0.42) ALDH1A1MEN1KMT2A
SCHEMBL21016363 0.66 HTT (0.35) POLBALDH1A1MEN1KMT2A
SCHEMBL762353 0.64 ALDH1A1 (0.45) POLBALDH1A1KMT2A
SCHEMBL24359090 0.64 SLC6A2 (0.36) ALDH1A1MEN1KMT2A
SCHEMBL18329549 0.63 MAPT (0.43) POLBALDH1A1MEN1KMT2A
SCHEMBL13151212 0.63 ALDH1A1 (0.44) POLBALDH1A1KDM4EMEN1KMT2A

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-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 (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-20200283424-A1 GLP-1R AGONISTS AND USES THEREOF GLP1R, GPR119, GIPR POLB 4812/4885STING1 3904/4885ALDH1A1 564/4885

“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.