SCHEMBL21890782

SCHEMBL21890782

CC(C)NC(=O)CCc1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 1/20 0.57
ALDH1A1 P00352 2/20 0.52
TBXAS1 P24557 8/20 0.51
NAMPT P43490 1/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.49
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL28254030 0.86 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL24011470 0.84 CYP1A2 (0.64) CYP1A2CYP3A4CYP2C9TBXAS1POLB
SCHEMBL7409115 0.84 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL27595249 0.84 CYP1A2 (0.59) CYP1A2CYP3A4CYP2C9CYP2C19TBXAS1
SCHEMBL10154019 0.83 CYP1A2 (0.61) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL30674420 0.82 TNKS2 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19NAMPT
SCHEMBL15219639 0.81 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL27510107 0.81 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL7772333 0.80 ALDH1A1 (0.66) ALDH1A1MAPTL3MBTL1
SCHEMBL12561403 0.80 CYP3A4 (0.67) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1

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
WO-2023209191-A1 PREP BINDING LIGANDS UNIVERSITY OF HELSINKI (FI) 2023-11-02 WO disclosed
US-10696649-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2020-06-30 US disclosed
US-20200095222-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-03-26 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-20200095222-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CYP1A2 2103/4885CYP3A4 3093/4885CYP2C9 2901/4885
US-10696649-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 CYP1A2 2103/4885CYP3A4 3093/4885CYP2C9 2901/4885

“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.