SCHEMBL13254086

SCHEMBL13254086

CC(C)C(=O)C[C@@H]1CCCN1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ HTT P42858 1/20 0.33
▸ GLP1R P43220 5/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ DPP4 P27487 1/20 0.31
▸ PREP P48147 1/20 0.31
▸ FAP Q12884 1/20 0.31
▸ ACE P12821 3/20 0.31
▸ REN P00797 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
SCHEMBL13254092 1.00 CHRM3 (0.39) CHRM3L3MBTL1POLBHTTGLP1R
SCHEMBL13337024 1.00 CHRM3 (0.39) CHRM3L3MBTL1POLBHTTGLP1R
SCHEMBL26724143 0.84 CHRM3 (0.40) CHRM3L3MBTL1POLBHTTGLP1R
SCHEMBL26728235 0.84 CHRM3 (0.42) CHRM3L3MBTL1POLBACEREN
SCHEMBL24579154 0.84 CHRM3 (0.42) CHRM3L3MBTL1POLBACEREN
SCHEMBL24577997 0.84 CHRM3 (0.40) CHRM3L3MBTL1POLBHTTGLP1R
SCHEMBL10021553 0.84 CHRM3 (0.42) CHRM3L3MBTL1POLBACEREN
SCHEMBL22606372 0.83 CHRM3 (0.38) CHRM3L3MBTL1POLBHTTGLP1R
SCHEMBL14375479 0.82 CHRM3 (0.39) CHRM3L3MBTL1POLBHTTGLP1R
Lithium Ion SCHEMBL29760022 0.81 CHRM3 (0.38) CHRM3L3MBTL1POLBHTTGLP1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8357654-B2 Multimeric CD40 ligands, method for preparing same and use thereof for preparing drugs CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-01-22 — — US disclosed
US-20100183642-A1 NOVEL MULTIMERIC CD40 LIGANDS, METHOD FOR PREPARING SAME AND USE THEREOF FOR PREPARING DRUGS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-07-22 — — US disclosed
US-20100136034-A1 NOVEL MULTIMERIC MOLECULES, A PROCESS FOR PREPARING THE SAME AND THE USE THEREOF FOR MANUFACTURING MEDICINAL DRUGS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-06-03 — — 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-20100183642-A1 NOVEL MULTIMERIC CD40 LIGANDS, METHOD FOR PREPARING SAME AND USE THEREOF FOR PREPARING DRUGS CD40, CD40LG, TNFSF10 CHRM3 159/4885L3MBTL1 2531/4885POLB 3609/4885
US-20100136034-A1 NOVEL MULTIMERIC MOLECULES, A PROCESS FOR PREPARING THE SAME AND THE USE THEREOF FOR MANUFACTURING MEDICINAL DRUGS TNFRSF1A, TNFRSF9, CD40 CHRM3 1499/4885L3MBTL1 4575/4885POLB 3362/4885

“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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