SCHEMBL23866586

SCHEMBL23866586

CC(C)C(=O)NC[C@H]1COCCN1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 1/20 0.43
▸ POLR1A O95602 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 2/20 0.37
▸ DPP4 P27487 1/20 0.36
▸ PREP P48147 1/20 0.36
▸ FAP Q12884 1/20 0.36
▸ IL1B P01584 2/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ P2RX3 P56373 2/20 0.33
▸ P2RX2 Q9UBL9 2/20 0.33
▸ HTR3A P46098 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL22519390 1.00 MALT1 (0.43) MALT1POLR1AALDH1A1TSHRDPP4
SCHEMBL30741404 0.83 MALT1 (0.46) MALT1POLR1AALDH1A1TSHRIL1B
SCHEMBL23866592 0.83 MALT1 (0.46) MALT1POLR1AALDH1A1TSHRIL1B
SCHEMBL23866634 0.82 CACNA1H (0.36) MALT1POLR1AALDH1A1TSHRIL1B
SCHEMBL28650867 0.80 MALT1 (0.44) MALT1POLR1AALDH1A1IL1BP2RX7
SCHEMBL16791399 0.78 MALT1 (0.43) MALT1POLR1AALDH1A1TSHRIL1B
SCHEMBL23866583 0.76 DPP4 (0.48) MALT1ALDH1A1DPP4PREPFAP
SCHEMBL12413667 0.76 DPP4 (0.48) MALT1ALDH1A1DPP4PREPFAP
SCHEMBL18233614 0.76 MALT1 (0.35) MALT1POLR1AIL1BP2RX7HTR3A
SCHEMBL13115966 0.75 DPP4 (0.43) MALT1DPP4PREPFAPHTT

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-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-09-30 — — 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-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 MALT1 505/4885POLR1A 1057/4885ALDH1A1 2764/4885

“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.

Send feedback